SCHEMBL3052850

SCHEMBL3052850

c1ccc2c(-c3ccnc(Nc4ccc(N5CCOCC5)cc4)n3)c[nH]c2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 4/20 0.73
▸ JAK2 O60674 4/20 0.65
▸ CCNT1 O60563 2/20 0.62
▸ CDK9 P50750 2/20 0.62
▸ CDK2 P24941 3/20 0.58
▸ CDK1 P06493 2/20 0.58
▸ CCNB1 P14635 2/20 0.58
▸ CCNE1 P24864 1/20 0.58
▸ PLK4 O00444 4/20 0.57
▸ AURKA O14965 1/20 0.56
▸ CDK4 P11802 1/20 0.56
▸ AURKB Q96GD4 1/20 0.56
▸ KDR P35968 1/20 0.56
▸ PTK2 Q05397 1/20 0.56
▸ MKNK1 Q9BUB5 1/20 0.55
▸ MKNK2 Q9HBH9 1/20 0.55
▸ PDGFRB P09619 1/20 0.55
▸ MAPK8 P45983 1/20 0.55
▸ MAPK10 P53779 1/20 0.55
▸ CCNA2 P20248 1/20 0.54

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
SCHEMBL4517977 0.90 FLT3 (0.73) FLT3JAK2CCNT1CDK9CDK2
SCHEMBL3042306 0.89 FLT3 (0.78) FLT3JAK2CDK2CDK1CCNB1
SCHEMBL3050088 0.89 CDK1 (0.73) FLT3JAK2CCNT1CDK9CDK2
SCHEMBL3035592 0.88 JAK2 (0.66) FLT3JAK2CCNT1CDK9PLK4
SCHEMBL3049599 0.86 JAK2 (0.60) FLT3JAK2CCNT1CDK9CDK2
SCHEMBL3052529 0.86 JAK2 (0.58) FLT3JAK2CCNT1CDK9CDK2
SCHEMBL4496547 0.86 FLT3 (0.59) FLT3JAK2CCNT1CDK9CDK2
SCHEMBL4506765 0.85 FLT3 (0.62) FLT3CCNT1CDK9CDK2CDK1
SCHEMBL4508216 0.85 FLT3 (0.69) FLT3JAK2CCNT1CDK9CDK2
SCHEMBL3056269 0.85 FLT3 (1.00) FLT3JAK2CCNT1CDK9CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267707-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. (US) 2010-10-21 — — US claimed
US-20090318446-A1 4-(1H-Indol-3-yl)-Pyrimidin-2-Ylamine Derivatives and Their Use in Therapy CYCLACEL LIMITED (GB) 2009-12-24 — — US claimed
EP-2040546-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2009-04-01 — — EP claimed
WO-2007149427-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-12-27 — — WO claimed
EP-1836194-A1 4- (1H-INDOL-3-YL) -PYRIMIDIN-2-YLAMINE DERIVATES AND THEIR USE IN THERAPY Cyclacel Limited (GB) 2007-09-26 — — EP claimed
WO-2006075152-A1 4- (1H-INDOL-3-YL) -PYRIMIDIN-2-YLAMINE DERIVATES AND THEIR USE IN THERAPY CYCLACEL LIMITED (GB) 2006-07-20 — — WO claimed
US-20100267707-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. (US) 2010-10-21 — — US disclosed
US-20100267707-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. (US) 2010-10-21 — — US disclosed
US-20100267707-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. (US) 2010-10-21 — — US disclosed
US-20090318446-A1 4-(1H-Indol-3-yl)-Pyrimidin-2-Ylamine Derivatives and Their Use in Therapy CYCLACEL LIMITED (GB) 2009-12-24 — — US disclosed
US-20090318446-A1 4-(1H-Indol-3-yl)-Pyrimidin-2-Ylamine Derivatives and Their Use in Therapy CYCLACEL LIMITED (GB) 2009-12-24 — — US disclosed
US-20090318446-A1 4-(1H-Indol-3-yl)-Pyrimidin-2-Ylamine Derivatives and Their Use in Therapy CYCLACEL LIMITED (GB) 2009-12-24 — — US disclosed
WO-2009075691-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2009-06-18 — — WO disclosed
EP-2040546-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2009-04-01 — — EP disclosed
WO-2007149427-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-12-27 — — WO disclosed
WO-2007149427-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-12-27 — — WO disclosed
EP-1836194-A1 4- (1H-INDOL-3-YL) -PYRIMIDIN-2-YLAMINE DERIVATES AND THEIR USE IN THERAPY Cyclacel Limited (GB) 2007-09-26 — — EP disclosed
WO-2006075152-A1 4- (1H-INDOL-3-YL) -PYRIMIDIN-2-YLAMINE DERIVATES AND THEIR USE IN THERAPY CYCLACEL LIMITED (GB) 2006-07-20 — — 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 (2 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-20100267707-A1 Tyrosine Kinase Inhibitors ABL1, ERBB2, MET FLT3 11/4885JAK2 16/4885CCNT1 1100/4885
US-20090318446-A1 4-(1H-Indol-3-yl)-Pyrimidin-2-Ylamine Derivatives and Their Use in Therapy ABL1, CDK2, JAK2 FLT3 91/4885JAK2 3/4885CCNT1 1014/4885

“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.

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