SCHEMBL166407

SCHEMBL166407

CCOc1cnc2ccc(Cl)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
EHMT2 Q96KQ7 1/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
MAPT P10636 3/20 0.42
TSHR P16473 3/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
F2 P00734 1/20 0.41
GLA P06280 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
MEN1 O00255 1/20 0.39
HRH4 Q9H3N8 2/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
TP53 P04637 2/20 0.39
NPC1 O15118 2/20 0.39

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
SCHEMBL358693 0.83 CNR1 (0.47) CNR1CNR2HPGDALDH1A1F2
SCHEMBL163368 0.80 SLC2A1 (0.42) KMT2AMAPTTSHRHPGDALDH1A1
SCHEMBL2171086 0.78 KMT2A (0.53) KMT2AEHMT2MAPTTSHRGAA
SCHEMBL13302131 0.77 RAB9A (0.55) KMT2AMAPTTSHRPOLBGAA
SCHEMBL160127 0.77 CNR1 (0.43) KMT2AEHMT2CNR1CNR2HPGD
SCHEMBL14917021 0.76 ALDH1A1 (0.45) KMT2AMAPTGAAHPGDALDH1A1
SCHEMBL10283407 0.76 PDE2A (0.42) CNR1CNR2HPGDALDH1A1F2
SCHEMBL9814928 0.76 FAAH (0.43) KMT2AMAPTALDH1A1HRH4NPC1
SCHEMBL8430587 0.75 KMT2A (0.50) KMT2AEHMT2MAPTTSHRGAA
SCHEMBL14916036 0.75 MEN1 (0.47) KMT2AMAPTTSHRHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611450-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-10 EP disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
EP-2593107-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-22 EP disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
WO-2012030633-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-03-08 WO disclosed
WO-2012030633-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-03-08 WO disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 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 (3 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 KMT2A 720/4885EHMT2 842/4885CNR1 3725/4885
US-20130116231-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, MET KMT2A 730/4885EHMT2 1066/4885CNR1 3543/4885
US-20130158041-A1 Tyrosine Kinase Inhibitors MET, ABL1, ERBB2 KMT2A 651/4885EHMT2 629/4885CNR1 4246/4885

“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.