SCHEMBL3050025

SCHEMBL3050025

Fc1ccc(F)c2c(-c3ccnc(Nc4ccc(N5CCOCC5)cc4)n3)c[nH]c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 12/20 0.57
▸ AURKA O14965 2/20 0.54
▸ CDK4 P11802 2/20 0.54
▸ CDK2 P24941 2/20 0.54
▸ AURKB Q96GD4 2/20 0.54
▸ KDR P35968 2/20 0.52
▸ PTK2 Q05397 2/20 0.52
▸ PLK4 O00444 4/20 0.51
▸ JAK3 P52333 3/20 0.51
▸ SYK P43405 2/20 0.51
▸ SMG1 Q96Q15 1/20 0.50
▸ CDC7 O00311 1/20 0.50
▸ CIT O14578 1/20 0.50
▸ CHEK1 O14757 1/20 0.50
▸ GAK O14976 1/20 0.50
▸ EPHB6 O15197 1/20 0.50
▸ PDPK1 O15530 1/20 0.50
▸ DAPK3 O43293 1/20 0.50
▸ RIPK2 O43353 1/20 0.50
▸ BUB1 O43683 1/20 0.50

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
SCHEMBL13086862 0.90 JAK2 (0.59) JAK2AURKACDK4CDK2AURKB
SCHEMBL3043740 0.87 JAK2 (0.58) JAK2AURKACDK4CDK2AURKB
SCHEMBL3048118 0.87 JAK2 (0.58) JAK2AURKACDK4CDK2AURKB
SCHEMBL3044992 0.84 JAK2 (0.55) JAK2AURKACDK4CDK2AURKB
SCHEMBL3052816 0.79 JAK2 (0.56) JAK2CDK2PLK4JAK3EGFR
SCHEMBL3049599 0.79 JAK2 (0.60) JAK2AURKACDK4CDK2AURKB
SCHEMBL3052529 0.79 JAK2 (0.58) JAK2AURKACDK4CDK2AURKB
SCHEMBL3050088 0.79 CDK1 (0.73) JAK2AURKACDK4CDK2AURKB
SCHEMBL3049594 0.79 JAK2 (0.55) JAK2AURKACDK4CDK2AURKB
SCHEMBL3052850 0.78 FLT3 (0.73) JAK2AURKACDK4CDK2AURKB

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 JAK2 16/4885AURKA 333/4885CDK4 119/4885

“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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