SCHEMBL1147685

SCHEMBL1147685

NNC(=O)c1nc2ccccc2n2cccc12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
GAA P10253 4/20 0.50
PTPN1 P18031 2/20 0.49
PTPN2 P17706 1/20 0.49
MAPT P10636 2/20 0.46
RAD51 Q06609 4/20 0.46
KDM4E B2RXH2 4/20 0.45
LCK P06239 2/20 0.44
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.43
MMP2 P08253 1/20 0.43
CSNK2A2 P19784 2/20 0.43
CSNK2B P67870 2/20 0.43
CSNK2A1 P68400 2/20 0.43
NPC1 O15118 1/20 0.41
MAOA P21397 1/20 0.41

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
SCHEMBL12112542 0.88 PTPN1 (0.51) ALDH1A1PTPN1PTPN2MAPTRAD51
SCHEMBL13369603 0.85 PTPN1 (0.53) ALDH1A1PTPN1PTPN2MAPTRAD51
SCHEMBL12112582 0.81 PTPN1 (0.49) ALDH1A1PTPN1PTPN2MAPTRAD51
SCHEMBL1312896 0.81 CSNK2A2 (0.55) ALDH1A1PTPN1PTPN2MAPTRAD51
SCHEMBL1147754 0.80 PTPN1 (0.44) ALDH1A1GAAPTPN1PTPN2MAPT
SCHEMBL13345880 0.80 PTPN1 (0.57) ALDH1A1PTPN1PTPN2MAPTRAD51
SCHEMBL10674049 0.76 ALDH1A1 (0.51) ALDH1A1GAAMAPTKDM4EKMT2A
SCHEMBL1310922 0.75 PTPN2 (0.53) ALDH1A1GAAPTPN1PTPN2KDM4E
SCHEMBL1310914 0.72 PTPN1 (0.56) ALDH1A1GAAPTPN1PTPN2MAPT
SCHEMBL3582281 0.71 GUCY1A1 (0.55) ALDH1A1GAAMAPTKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275646-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-11-10 US disclosed
US-7947682-B2 Substituted N′-pyrrolo[1,2-a]quinoxalin-4-yl-hydrazides as anti-cancer agents UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-05-24 US disclosed
US-20110034472-A1 Novel Compounds for Treatment of Cancer and Disorders Associated With Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-02-10 US disclosed
US-20100120781-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA 2010-05-13 US disclosed
US-20060235034-A1 Novel compounds for treatment of cancer and disorders associated with angiogenesis function UNIVERSITY OF SOUTHERN CALIFORNIA 2006-10-19 US disclosed
US-20060142294-A1 Novel compounds for treatment of cancer and disorders associated with angiogenesis function UNIVERSITY OF SOUTHERN CALIFORNIA 2006-06-29 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 (5 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-20060142294-A1 Novel compounds for treatment of cancer and disorders associated with angiogenesis function VEGFA, TEK, LIPG ALDH1A1 1365/4885GAA 2608/4885PTPN1 3714/4885
US-20110275646-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function VEGFA, TEK, LIPG ALDH1A1 1365/4885GAA 2608/4885PTPN1 3714/4885
US-20110034472-A1 Novel Compounds for Treatment of Cancer and Disorders Associated With Angiogenesis Function VEGFA, TEK, MCL1 ALDH1A1 1558/4885GAA 2881/4885PTPN1 3434/4885
US-20100120781-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function VEGFA, TEK, MCL1 ALDH1A1 1558/4885GAA 2881/4885PTPN1 3434/4885
US-20060235034-A1 Novel compounds for treatment of cancer and disorders associated with angiogenesis function VEGFA, TEK, MCL1 ALDH1A1 1558/4885GAA 2881/4885PTPN1 3434/4885

“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.