SCHEMBL953657

SCHEMBL953657

Cc1nc2ccccn2c1C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 7/20 0.49
RXFP1 Q9HBX9 1/20 0.49
NPSR1 Q6W5P4 5/20 0.47
KDM4E B2RXH2 7/20 0.47
HSD17B10 Q99714 4/20 0.47
GAA P10253 3/20 0.47
HPGD P15428 3/20 0.47
GLA P06280 2/20 0.47
NPC1 O15118 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
MAPK1 P28482 1/20 0.44
MEN1 O00255 1/20 0.44
CDK4 P11802 1/20 0.43
CDK2 P24941 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 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
SCHEMBL2362497 0.82 KMT2A (0.54) KMT2AALDH1A1RXFP1NPSR1KDM4E
SCHEMBL10431905 0.79 KDM4E (0.51) KMT2AALDH1A1RXFP1NPSR1KDM4E
SCHEMBL24463224 0.79 KDM4E (0.47) KMT2AALDH1A1RXFP1NPSR1KDM4E
SCHEMBL13050664 0.78 KDM4E (0.43) KMT2AALDH1A1RXFP1NPSR1KDM4E
SCHEMBL9498700 0.78 NPC1 (0.58) ALDH1A1NPSR1KDM4EHSD17B10GAA
SCHEMBL266148 0.75 KMT2A (0.58) KMT2AALDH1A1NPSR1KDM4EHSD17B10
SCHEMBL8351952 0.75 KDM4E (0.43) KMT2AALDH1A1RXFP1NPSR1KDM4E
SCHEMBL1583502 0.75 HSD17B10 (0.46) KMT2AALDH1A1RXFP1NPSR1KDM4E
SCHEMBL17028868 0.74 ALDH1A1 (0.50) KMT2AALDH1A1RXFP1KDM4EGAA
SCHEMBL15004608 0.73 KMT2A (0.61) KMT2AALDH1A1NPSR1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210155619-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2021-05-27 US disclosed
EP-3020716-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS Forum Pharmaceuticals Inc. (US) 2016-05-18 EP disclosed
US-20150322069-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS FMR LLC 2015-11-12 US disclosed
US-20150322069-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS FMR LLC 2015-11-12 US disclosed
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-8946222-B2 Phenoxymethyl heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2015-02-03 US disclosed
US-8946222-B2 Phenoxymethyl heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2015-02-03 US disclosed
EP-2617420-A1 Phenoxymethyl heterocyclic compounds Envivo Pharmaceuticals, Inc. (US) 2013-07-24 EP disclosed
US-20130143888-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS ENVIVO PHAMACEUTICALS, INC. (US) 2013-06-06 US disclosed
EP-2427454-B1 Phenoxymethyl heterocyclic compounds ENVIVO PHARMACEUTICALS INC (US) 2013-03-20 EP disclosed
US-8343973-B2 Phenoxymethyl heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2013-01-01 US disclosed
US-8343973-B2 Phenoxymethyl heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2013-01-01 US disclosed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 EP disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20100292238-A1 Phenoxymethyl Heterocyclic Compounds FMR LLC 2010-11-18 US disclosed
US-20100292238-A1 Phenoxymethyl Heterocyclic Compounds FMR LLC 2010-11-18 US disclosed
WO-2010128995-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2010-11-11 WO disclosed
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 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 (6 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-20150322069-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS PDE3A, PDE2A, PDE5A KMT2A 1618/4885ALDH1A1 821/4885RXFP1 2172/4885
US-20130143888-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS PDE3A, PDE2A, PDE5A KMT2A 1618/4885ALDH1A1 821/4885RXFP1 2172/4885
US-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 KMT2A 2441/4885ALDH1A1 1687/4885RXFP1 4277/4885
US-20100292238-A1 Phenoxymethyl Heterocyclic Compounds PDE3A, PDE2A, PDE5A KMT2A 1618/4885ALDH1A1 821/4885RXFP1 2172/4885
US-20210155619-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES CD14, MSR1, MPO KMT2A 4756/4885ALDH1A1 2279/4885RXFP1 4220/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 KMT2A 2459/4885ALDH1A1 728/4885RXFP1 3685/4885

“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.