SCHEMBL3433732

SCHEMBL3433732

c1cnn(Cc2ccncc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.59
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
NOS3 P29474 1/20 0.53
NOS1 P29475 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
HTT P42858 1/20 0.50
CYP11B1 P15538 1/20 0.47
TSHR P16473 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
BRD4 O60885 1/20 0.41
CYP19A1 P11511 2/20 0.41
S1PR1 P21453 1/20 0.40

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
SCHEMBL324202 0.85 MAPT (0.61) GAAMAPTHDAC1HDAC6NOS3
SCHEMBL22181781 0.83 CA12 (0.71) GAAMAPTHDAC1HDAC6NOS3
Hydrochloric Acid SCHEMBL15366234 0.83 MAPT (0.59) GAAMAPTHDAC1HDAC6NOS3
SCHEMBL17221602 0.82 MAPT (0.62) GAAMAPTHDAC1HDAC6NOS3
SCHEMBL3397894 0.82 GAA (0.67) GAAMAPTHDAC1HDAC6NOS3
SCHEMBL301503 0.82 GAA (0.62) GAAMAPTHDAC1HDAC6NOS3
SCHEMBL7627846 0.82 MAPT (0.62) GAAMAPTHDAC1HDAC6NOS3
SCHEMBL3521224 0.80 MAPT (0.60) GAAMAPTHDAC1HDAC6NOS3
SCHEMBL554803 0.80 GAA (0.60) GAAMAPTHDAC1HDAC6NOS3
SCHEMBL12321326 0.80 MAPT (0.60) GAAMAPTHDAC1HDAC6NOS3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174679-A1 HETEROAROYL AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-05-30 US claimed
US-20250215017-A1 TGF-ß INHIBITOR COMPOUND AND USE THEROF MEDINNO PHARMACEUTICAL TECHNOLOGY (ZHUHAI) CO., LTD. (CN) 2025-07-03 US disclosed
US-20250161304-A1 Methods for Treating Cancer Using Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity MERCK PATENT GMBH (DE) 2025-05-22 US disclosed
US-11491153-B2 Methods for treating cancer using pyrimidine and pyridine compounds with BTK inhibitory activity MERCK PATENT GMBH (DE) 2022-11-08 US disclosed
CN-104725397-B Thienopyrimidine derivative, its preparation method and the Pharmaceutical composition containing them 法国施维雅药厂 2017-11-28 CN disclosed
EP-2545055-B1 Imidazo[1,2-a]pyrazine derivatives and their use for the prevention or treatment of neurological, psychiatric and metabolic disorders and diseases JANSSEN PHARMACEUTICA NV (BE) 2017-08-09 EP disclosed
EP-2222162-A2 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE Dana Farber Cancer Institute (US) 2010-09-01 EP disclosed
WO-2009073153-A2 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE DANA FARBER CANCER INSTITUTE (US) 2009-06-11 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 (4 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-20240174679-A1 HETEROAROYL AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, CLK2, BRSK2 GAA 1124/4885MAPT 505/4885HDAC1 893/4885
US-20250161304-A1 Methods for Treating Cancer Using Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity BTK, SYK, LCK GAA 1617/4885MAPT 4746/4885HDAC1 2065/4885
US-11491153-B2 Methods for treating cancer using pyrimidine and pyridine compounds with BTK inhibitory activity BTK, SYK, LCK GAA 1617/4885MAPT 4746/4885HDAC1 2065/4885
US-20250215017-A1 TGF-ß INHIBITOR COMPOUND AND USE THEROF TGFB1, TGFB2, TGFBR2 GAA 853/4885MAPT 103/4885HDAC1 863/4885

“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.