SCHEMBL2759541

SCHEMBL2759541

CCc1c(C)nc2ccccn12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
KMT2A Q03164 3/20 0.53
MAPK1 P28482 1/20 0.53
MEN1 O00255 1/20 0.53
KDM4E B2RXH2 5/20 0.51
NPSR1 Q6W5P4 4/20 0.51
HSD17B10 Q99714 3/20 0.51
GAA P10253 3/20 0.50
DPP4 P27487 1/20 0.49
HPGD P15428 2/20 0.48
NPC1 O15118 1/20 0.48
GLA P06280 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL24348727 0.84 DPP4 (0.63) ALDH1A1KMT2AMAPK1MEN1KDM4E
SCHEMBL859623 0.84 ALDH1A1 (0.51) ALDH1A1KMT2AMAPK1MEN1KDM4E
SCHEMBL20138279 0.84 KDM4E (0.51) ALDH1A1KMT2AMAPK1MEN1KDM4E
SCHEMBL859998 0.84 KDM4E (0.65) ALDH1A1KMT2AMAPK1MEN1KDM4E
SCHEMBL13144236 0.81 KDM4E (0.50) ALDH1A1KMT2AMAPK1MEN1KDM4E
SCHEMBL21995802 0.81 KMT2A (0.47) ALDH1A1KMT2AMAPK1MEN1KDM4E
SCHEMBL9689634 0.81 KDM4E (0.53) ALDH1A1KMT2AMAPK1MEN1KDM4E
SCHEMBL13220757 0.81 KMT2A (0.51) ALDH1A1KMT2AMAPK1MEN1KDM4E
SCHEMBL15072834 0.80 KDM4E (0.70) ALDH1A1KMT2AMEN1KDM4ENPSR1
SCHEMBL10517025 0.80 ALDH1A1 (0.48) ALDH1A1KMT2AMAPK1MEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3886848-A1 PHARMACEUTICAL COMPOUNDS AND THERAPEUTIC METHODS Rutgers, The State University of New Jersey (US) 2021-10-06 EP disclosed
US-20210078998-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-18 US disclosed
WO-2020112845-A1 PHARMACEUTICAL COMPOUNDS AND THERAPEUTIC METHODS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-06-04 WO disclosed
US-9951074-B2 Dihydropteridinone derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-24 US disclosed
US-9763956-B2 Diagnostic and treatment methods in subjects having or at risk of developing resistance to cancer therapy THE BROAD INSTITUTE, INC. (US) 2017-09-19 US disclosed
US-9763956-B2 Diagnostic and treatment methods in subjects having or at risk of developing resistance to cancer therapy THE BROAD INSTITUTE, INC. (US) 2017-09-19 US disclosed
US-20150315182-A1 SUBSTITUTED REVERSE PYRIMIDINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2015-11-05 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 ALDH1A1 2674/4885KMT2A 2604/4885MAPK1 2068/4885
US-20210078998-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS HIPK1, PDXK, IP6K1 ALDH1A1 4044/4885KMT2A 3229/4885MAPK1 526/4885
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 ALDH1A1 680/4885KMT2A 68/4885MAPK1 1471/4885
US-20150315182-A1 SUBSTITUTED REVERSE PYRIMIDINE BMI-1 INHIBITORS BMI1, BRPF3, BAZ2A ALDH1A1 1803/4885KMT2A 166/4885MAPK1 1534/4885

“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.