SCHEMBL651726

SCHEMBL651726

CSc1cccc(NC(N)=S)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
ALDH1A1 P00352 3/20 0.64
GAA P10253 1/20 0.62
RAB9A P51151 1/20 0.62
CYP1A2 P05177 2/20 0.61
KMT2A Q03164 6/20 0.58
MEN1 O00255 5/20 0.58
TP53 P04637 2/20 0.58
HSD17B10 Q99714 2/20 0.58
POLB P06746 2/20 0.58
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NPSR1 Q6W5P4 1/20 0.55
KDM4E B2RXH2 1/20 0.54
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
TYR P14679 1/20 0.52
TSHR P16473 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28883207 0.84 MAPT (0.66) MAPTALDH1A1GAARAB9ACYP1A2
SCHEMBL5432263 0.83 MAPT (0.69) MAPTALDH1A1GAARAB9ACYP1A2
SCHEMBL356986 0.82 MAPT (0.68) MAPTALDH1A1RAB9ACYP1A2KMT2A
SCHEMBL30933151 0.82 MAPT (0.68) MAPTALDH1A1RAB9ACYP1A2KMT2A
SCHEMBL6138093 0.82 MAPT (0.58) MAPTALDH1A1GAARAB9ACYP1A2
SCHEMBL4047674 0.80 KMT2A (0.76) MAPTALDH1A1GAACYP1A2KMT2A
SCHEMBL3068048 0.79 HTR3E (0.61) MAPTALDH1A1GAARAB9ACYP1A2
SCHEMBL5263564 0.78 KMT2A (0.53) ALDH1A1CYP1A2KMT2ATP53HSD17B10
SCHEMBL6716900 0.78 MAPT (0.62) MAPTALDH1A1GAARAB9ACYP1A2
SCHEMBL5521712 0.77 IDO1 (0.67) MAPTALDH1A1GAARAB9ACYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 205 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024123585-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2024-06-13 WO disclosed
WO-2024091894-A1 PNU ANTHRACYCLINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2024-05-02 WO disclosed
US-20230219962-A1 PYRAZOLO[4,3-d]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF CELLULAR PROLIFERATIVE DISORDERS MERCK SHARP & DOHME LLC (US) 2023-07-13 US disclosed
WO-2023121939-A1 SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2023-06-29 WO disclosed
US-20230114091-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-04-13 US disclosed
US-20230108452-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP 2023-04-06 US disclosed
US-20230092404-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP 2023-03-23 US disclosed
US-20230083689-A1 METHODS FOR TREATING CANCER WITH A WEE1 INHIBITOR MERCK SHARP & DOHME LLC 2023-03-16 US disclosed
EP-3706742-B1 PRMT5 INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-03-15 EP disclosed
EP-4076452-A1 PRMT5 INHIBITORS Merck Sharp & Dohme LLC (US) 2022-10-26 EP disclosed
US-20050288294-A1 Inhibitors of akt activity MERCK SHARP & DOHME CORP. 2005-12-29 US disclosed
US-20050228003-A1 Mitotic kinesin inhibitors MERCK SHARP & DOHME CORP. 2005-10-13 US disclosed
US-20050182256-A1 1-{1-[4-(6-hydroxy-5-isobutyl-3-phenylpyrazin-2-yl)benzyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one; antiproliferative MERCK & CO., INC. 2005-08-18 US disclosed
US-20050176737-A1 Mitotic kinesin inhibitors MERCK SHARP & DOHME CORP. 2005-08-11 US disclosed
US-20050171122-A1 Mitotic kinesin inhibitors MERCK SHARP & DOHME CORP. 2005-08-04 US disclosed
US-20050159422-A1 Inhibitors of akt activity MERCK SHARP & DOHME CORP. 2005-07-21 US disclosed
US-20050070538-A1 Compounds and uses thereof in modulating amyloid beta SIROCCO THERAPEUTICS, INC. 2005-03-31 US disclosed
US-20050032817-A1 Kinesin spindle protein (KSP) inhibitors, e.g., 3-benzyl-2-(1-{(4-bromobenzyl)[2-(dimethylamino)ethyl]amino}propyl)furo[2,3-d]pyrimidin-4(3H)-one; antiproliferative and -carcinogenic agents; side effects reduction; cancers of the brain, genitourinary tract, lymphatic system, stomach, larynx and lung MERCK SHARP & DOHME CORP. 2005-02-10 US disclosed
US-20040259826-A1 Mitotic kinesin inhibitors MERCK & CO., INC. 2004-12-23 US disclosed
WO-2004110350-A2 COMPOUDS AND USES THEREOF IN MODULATING AMYLOID BETA TORREYPINES THERAPEUTICS, INC. (US) 2004-12-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230114091-A1 PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 MAPT 4571/4885ALDH1A1 1341/4885GAA 3202/4885
US-20230219962-A1 PYRAZOLO[4,3-d]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF CELLULAR PROLIFERATIVE DISORDERS DPYD, TYMP, TK1 MAPT 4103/4885ALDH1A1 436/4885GAA 2631/4885
US-20050288294-A1 Inhibitors of akt activity AKT2, AKT1, AKT3 MAPT 2400/4885ALDH1A1 3746/4885GAA 1547/4885
US-20040259826-A1 Mitotic kinesin inhibitors KIF5B, KIF2C, KIF18B MAPT 309/4885ALDH1A1 2572/4885GAA 898/4885
US-20230108452-A1 PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 MAPT 4638/4885ALDH1A1 2223/4885GAA 3489/4885
US-20050171122-A1 Mitotic kinesin inhibitors KIF5B, KIFC1, KIF2C MAPT 239/4885ALDH1A1 2384/4885GAA 1295/4885
US-20050032817-A1 Kinesin spindle protein (KSP) inhibitors, e.g., 3-benzyl-2-(1-{(4-bromobenzyl)[2-(dimethylamino)ethyl]amino}propyl)furo[2,3-d]pyrimidin-4(3H)-one; antiproliferative and -carcinogenic agents; side effects reduction; cancers of the brain, genitourinary tract, lymphatic system, stomach, larynx and lung KIF2C, KIFC1, KIF5B MAPT 741/4885ALDH1A1 1544/4885GAA 1831/4885
US-20050176737-A1 Mitotic kinesin inhibitors KIF5B, KIFC1, KIF2C MAPT 239/4885ALDH1A1 2384/4885GAA 1295/4885
US-20050070538-A1 Compounds and uses thereof in modulating amyloid beta APP, BACE1, BACE2 MAPT 10/4885ALDH1A1 2224/4885GAA 50/4885
US-20050159422-A1 Inhibitors of akt activity AKT1, AKT2, AKT3 MAPT 2652/4885ALDH1A1 3729/4885GAA 793/4885
US-20050182256-A1 1-{1-[4-(6-hydroxy-5-isobutyl-3-phenylpyrazin-2-yl)benzyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one; antiproliferative PLK1, AKT2, SKP2 MAPT 2622/4885ALDH1A1 2068/4885GAA 1832/4885
US-20230083689-A1 METHODS FOR TREATING CANCER WITH A WEE1 INHIBITOR WEE1, WEE2, TP53 MAPT 3848/4885ALDH1A1 2947/4885GAA 2234/4885
US-20050228003-A1 Mitotic kinesin inhibitors KIF5B, KIF18B, KIFC1 MAPT 291/4885ALDH1A1 2640/4885GAA 1348/4885
US-20230092404-A1 PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 MAPT 4575/4885ALDH1A1 2036/4885GAA 3237/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.