SCHEMBL3050088

SCHEMBL3050088

c1cnc2[nH]cc(-c3ccnc(Nc4ccc(N5CCOCC5)cc4)n3)c2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 7/20 0.73
▸ CCNB1 P14635 7/20 0.73
▸ CDK2 P24941 5/20 0.73
▸ FLT3 P36888 4/20 0.73
▸ CCNE1 P24864 3/20 0.73
▸ CCNT1 O60563 1/20 0.70
▸ CCNA2 P20248 1/20 0.70
▸ CDK9 P50750 1/20 0.70
▸ CCNB2 O95067 4/20 0.67
▸ CCNB3 Q8WWL7 4/20 0.67
▸ CDK7 P50613 2/20 0.64
▸ CCNH P51946 2/20 0.64
▸ MNAT1 P51948 2/20 0.64
▸ JAK2 O60674 3/20 0.63
▸ RET P07949 7/20 0.62
▸ AURKA O14965 1/20 0.57
▸ CDK4 P11802 1/20 0.57
▸ AURKB Q96GD4 1/20 0.57
▸ CDC7 O00311 1/20 0.56
▸ DBF4 Q9UBU7 1/20 0.56

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) CDK1CCNB1CDK2FLT3CCNE1
SCHEMBL3043740 0.85 JAK2 (0.58) CDK1CCNB1CDK2FLT3CCNE1
SCHEMBL13007934 0.84 RET (0.84) CDK1CCNB1CDK2FLT3CCNE1
SCHEMBL13086862 0.82 JAK2 (0.59) CDK1CCNB1CDK2FLT3CCNE1
SCHEMBL3052816 0.81 JAK2 (0.56) CDK1CCNB1CDK2FLT3CCNE1
SCHEMBL3052529 0.81 JAK2 (0.58) CDK1CCNB1CDK2FLT3CCNE1
SCHEMBL3049599 0.81 JAK2 (0.60) CDK1CCNB1CDK2FLT3CCNE1
SCHEMBL3035592 0.81 JAK2 (0.66) FLT3CCNT1CDK9JAK2
SCHEMBL2544992 0.81 CCNB2 (1.00) CDK1CCNB1CDK2CCNT1CCNA2
SCHEMBL3044992 0.81 JAK2 (0.55) CDK1CCNB1CDK2FLT3CCNE1

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 9 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
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
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
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

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-20100267707-A1 Tyrosine Kinase Inhibitors ABL1, ERBB2, MET CDK1 178/4885CCNB1 943/4885CDK2 145/4885

“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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