SCHEMBL8969803

SCHEMBL8969803

CCc1cn(-c2ccccc2)nc1-c1ccc(C)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.76
MEN1 O00255 4/20 0.76
RAB9A P51151 3/20 0.76
NPC1 O15118 2/20 0.76
CCNE1 P24864 7/20 0.69
CDK2 P24941 7/20 0.69
ALDH1A1 P00352 4/20 0.66
LMNA P02545 4/20 0.66
MAPT P10636 3/20 0.66
NPSR1 Q6W5P4 3/20 0.66
HTT P42858 3/20 0.66
MAPK1 P28482 1/20 0.66
KDM4E B2RXH2 6/20 0.63
USP2 O75604 1/20 0.63
HPGD P15428 1/20 0.63
HSD17B10 Q99714 1/20 0.63
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62

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
SCHEMBL12943711 0.91 KDM4E (0.69) KMT2AMEN1RAB9ANPC1CCNE1
SCHEMBL11252112 0.87 RAB9A (1.00) KMT2AMEN1RAB9ANPC1CCNE1
SCHEMBL29528635 0.87 KMT2A (0.74) KMT2AMEN1RAB9ANPC1CCNE1
SCHEMBL11160288 0.86 KDM4E (0.82) KMT2AMEN1RAB9ANPC1CCNE1
SCHEMBL8969748 0.84 RAB9A (0.78) KMT2AMEN1RAB9ANPC1CCNE1
SCHEMBL11249486 0.83 KMT2A (0.69) KMT2AMEN1RAB9ANPC1CCNE1
SCHEMBL29527706 0.81 KMT2A (0.66) KMT2AMEN1RAB9ANPC1CCNE1
SCHEMBL8969999 0.80 PTGS1 (0.59) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL13890467 0.80 MEN1 (0.68) KMT2AMEN1RAB9ANPC1CCNE1
SCHEMBL23399040 0.78 KMT2A (0.67) KMT2AMEN1RAB9ANPC1CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188080-B2 VHR protein tyrosine phosphatase inhibitors, compositions and methods of use SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-05-29 US disclosed
US-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-23 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 (1 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-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE PTPRR, PTPRS, PTPRCAP KMT2A 2032/4885MEN1 4459/4885RAB9A 2257/4885

“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.