SCHEMBL1703663

SCHEMBL1703663

Nc1cnn(Cc2ccccc2Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
MAPT P10636 3/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
PKM P14618 1/20 0.67
LMNA P02545 2/20 0.51
KLKB1 P03952 1/20 0.50
HPGD P15428 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
BLM P54132 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GPR35 Q9HC97 1/20 0.45
GAA P10253 1/20 0.44
TNF P01375 1/20 0.44
NOD2 Q9HC29 1/20 0.44
NOD1 Q9Y239 1/20 0.44
TYR P14679 1/20 0.42

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
SCHEMBL27824744 0.84 MAPT (0.51) ALDH1A1MAPTL3MBTL1PKMLMNA
SCHEMBL22619696 0.81 ALDH1A1 (0.66) ALDH1A1MAPTL3MBTL1PKMLMNA
SCHEMBL3611045 0.81 ALDH1A1 (0.69) ALDH1A1MAPTL3MBTL1PKMLMNA
SCHEMBL3609380 0.81 CYP3A4 (0.62) ALDH1A1MAPTL3MBTL1PKMLMNA
SCHEMBL6937025 0.80 HPGD (0.46) ALDH1A1MAPTL3MBTL1PKMLMNA
Hydrochloric Acid SCHEMBL22619646 0.80 ALDH1A1 (0.64) ALDH1A1MAPTL3MBTL1PKMLMNA
SCHEMBL15520765 0.80 ALDH1A1 (1.00) ALDH1A1MAPTL3MBTL1PKMLMNA
SCHEMBL16095755 0.80 HPGD (0.46) ALDH1A1MAPTL3MBTL1PKMLMNA
SCHEMBL950986 0.79 MAPT (0.67) ALDH1A1MAPTL3MBTL1PKMLMNA
SCHEMBL21523655 0.78 MAPT (0.61) ALDH1A1MAPTL3MBTL1PKMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112566636-A Compound and use thereof 优曼尼蒂治疗公司 2021-03-26 CN disclosed
EP-3784234-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2021-03-03 EP disclosed
US-10919885-B2 Compounds and uses thereof YUMANITY THERAPEUTICS, INC. (US) 2021-02-16 US disclosed
US-10919885-B2 Compounds and uses thereof YUMANITY THERAPEUTICS, INC. (US) 2021-02-16 US disclosed
US-20190330198-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2019-10-31 US disclosed
US-20190330198-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2019-10-31 US disclosed
US-8426408-B2 Pyrimidine inhibitors of kinases ABBVIE INC. (US) 2013-04-23 US disclosed
CN-102498110-A 2- (LH-pyrazol-4-ylamino) -pyrimidine as kinase inhibitors ABBOTT LAB 2012-06-13 CN disclosed
EP-2440548-A1 2- ( LH-PYRAZOL-4 -YLAMINO ) -PYRIMIDINE AS KINASE INHIBITORS Abbott Laboratories (US) 2012-04-18 EP disclosed
US-20100317680-A1 PYRIMIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2010-12-16 US disclosed
WO-2010144468-A1 2- ( LH-PYRAZOL-4 -YLAMINO ) -PYRIMIDINE AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2010-12-16 WO disclosed
US-20100041696-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 US 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-20100317680-A1 PYRIMIDINE INHIBITORS OF KINASES AURKA, AURKC, AURKB ALDH1A1 899/4885MAPT 2310/4885L3MBTL1 2652/4885
US-20100041696-A1 Compounds CYP11B2, SCD, CYP3A5 ALDH1A1 430/4885MAPT 3377/4885L3MBTL1 4424/4885
US-10919885-B2 Compounds and uses thereof NLN, ACHE, CLN6 ALDH1A1 656/4885MAPT 22/4885L3MBTL1 3366/4885
US-20190330198-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 ALDH1A1 656/4885MAPT 22/4885L3MBTL1 3366/4885

“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.