SCHEMBL1963980

SCHEMBL1963980

Clc1ccc(-n2cncn2)nc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
KDM4E B2RXH2 4/20 0.46
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.43
GLA P06280 1/20 0.43
HTT P42858 1/20 0.43
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
CYP2A6 P11509 1/20 0.41
PIM1 P11309 1/20 0.40
LMNA P02545 1/20 0.40
CYP19A1 P11511 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
SCHEMBL584903 0.78 MAPT (0.45) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL20008835 0.78 KDM4E (0.53) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL29973132 0.78 MAPT (0.45) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL12859249 0.78 KDM4E (0.49) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2644945 0.78 MAPT (0.48) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL1163933 0.78 MAPT (0.45) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL17924368 0.77 MEN1 (0.46) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL10550633 0.75 KDM4E (0.51) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL5698544 0.74 KDM4E (0.52) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL23586773 0.74 MAPT (0.45) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E

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-20160368870-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-12-22 US disclosed
US-20160368870-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-12-22 US disclosed
US-20160368870-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-12-22 US disclosed
EP-3010903-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY Boehringer Ingelheim International GmbH (DE) 2016-04-27 EP disclosed
WO-2014202528-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-24 WO disclosed
WO-2014202528-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-24 WO disclosed
EP-2299824-B1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME (US) 2013-06-19 EP disclosed
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 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 (2 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-20160368870-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY OXER1, AK2, GPR119 KMT2A 3141/4885MEN1 4019/4885ALDH1A1 598/4885
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, HRH2 KMT2A 1541/4885MEN1 3407/4885ALDH1A1 1185/4885

“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.