SCHEMBL164336

SCHEMBL164336

Oc1cnc2ccc(Cl)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.54
MAP4K4 O95819 1/20 0.54
CDK8 P49336 1/20 0.54
CLK2 P49760 1/20 0.54
CDK7 P50613 1/20 0.54
CDK9 P50750 1/20 0.54
CDK5 Q00535 1/20 0.54
ACVR1 Q04771 1/20 0.54
ROCK1 Q13464 1/20 0.54
LRRK2 Q5S007 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
DYRK1B Q9Y463 1/20 0.54
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
TMPRSS4 Q9NRS4 1/20 0.38

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
SCHEMBL1359776 0.84 MAP4K4 (0.46) DYRK1AMAP4K4CDK8CLK2CDK7
SCHEMBL27468871 0.78 CYP1A2 (0.52) DYRK1AMAP4K4CDK8CLK2CDK7
SCHEMBL11059374 0.78 ESR1 (0.44) DYRK1AHPGDHSD17B10MEN1KMT2A
SCHEMBL10687883 0.77 MAPK1 (0.48) CDK8HPGDMEN1KMT2AMAPT
SCHEMBL2000504 0.76 MAP4K4 (0.54) DYRK1AMAP4K4CDK8CLK2CDK7
SCHEMBL21988901 0.76 MAP4K4 (0.54) DYRK1AMAP4K4CDK8CLK2CDK7
SCHEMBL2224981 0.76 MAP4K4 (0.54) DYRK1AMAP4K4CDK8CLK2CDK7
SCHEMBL163889 0.76 MAP4K4 (0.54) DYRK1AMAP4K4CDK8CLK2CDK7
SCHEMBL789944 0.76 PDGFRB (0.39) DYRK1ACYP2D6HPGDHSD17B10PDGFRB
SCHEMBL15043760 0.76 ADORA3 (0.39) DYRK1ACYP2D6HPGDHSD17B10PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 US disclosed
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-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 (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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 DYRK1A 327/4885MAP4K4 121/4885CDK8 191/4885
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 DYRK1A 4320/4885MAP4K4 3787/4885CDK8 4439/4885
US-20130116231-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, MET DYRK1A 239/4885MAP4K4 140/4885CDK8 354/4885
US-20130158041-A1 Tyrosine Kinase Inhibitors MET, ABL1, ERBB2 DYRK1A 291/4885MAP4K4 129/4885CDK8 262/4885

“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.