SCHEMBL3042306

SCHEMBL3042306

CN1CCN(c2ccc(Nc3nccc(-c4c[nH]c5ccccc45)n3)cc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 8/20 0.78
▸ CDK2 P24941 9/20 0.67
▸ DYRK1B Q9Y463 5/20 0.67
▸ IGF1R P08069 5/20 0.67
▸ CCNE1 P24864 3/20 0.65
▸ CDK1 P06493 2/20 0.65
▸ CCNB1 P14635 2/20 0.65
▸ CDK7 P50613 1/20 0.65
▸ CCNH P51946 1/20 0.65
▸ MNAT1 P51948 1/20 0.65
▸ CDK4 P11802 1/20 0.59
▸ KDR P35968 1/20 0.59
▸ GSK3B P49841 1/20 0.59
▸ RET P07949 1/20 0.58
▸ JAK2 O60674 2/20 0.58
▸ EGFR P00533 1/20 0.55
▸ KCNH2 Q12809 1/20 0.55
▸ EIF2AK2 P19525 1/20 0.54
▸ MKNK1 Q9BUB5 1/20 0.54
▸ MKNK2 Q9HBH9 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
SCHEMBL3052850 0.89 FLT3 (0.73) FLT3CDK2CCNE1CDK1CCNB1
SCHEMBL4517977 0.89 FLT3 (0.73) FLT3CDK2DYRK1BIGF1RCCNE1
SCHEMBL3056269 0.88 FLT3 (1.00) FLT3CDK2DYRK1BIGF1RCCNE1
SCHEMBL4508216 0.86 FLT3 (0.69) FLT3CDK2DYRK1BIGF1RCCNE1
SCHEMBL3048370 0.85 CDK2 (0.59) FLT3CDK2DYRK1BIGF1RCCNE1
SCHEMBL4511287 0.84 FLT3 (0.67) FLT3CDK2DYRK1BIGF1RCCNE1
SCHEMBL4499554 0.84 IGF1R (0.64) FLT3CDK2DYRK1BIGF1RCCNE1
SCHEMBL13602052 0.83 FLT3 (0.66) FLT3CDK2DYRK1BIGF1RCCNE1
SCHEMBL4509719 0.83 FLT3 (0.66) FLT3CDK2DYRK1BIGF1RCCNE1
SCHEMBL4507732 0.83 FLT3 (0.66) FLT3CDK2DYRK1BIGF1RCCNE1

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
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
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 11/4885CDK2 145/4885DYRK1B 273/4885
US-20090318446-A1 4-(1H-Indol-3-yl)-Pyrimidin-2-Ylamine Derivatives and Their Use in Therapy ABL1, CDK2, JAK2 FLT3 91/4885CDK2 2/4885DYRK1B 392/4885

“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.

Send feedback