SCHEMBL3048118

SCHEMBL3048118

Fc1cccc2[nH]cc(-c3ccnc(Nc4ccc(N5CCOCC5)cc4)n3)c12

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 11/20 0.58
▸ FLT3 P36888 2/20 0.54
▸ PLK4 O00444 3/20 0.54
▸ MAPK8 P45983 2/20 0.54
▸ MAPK10 P53779 2/20 0.54
▸ AURKA O14965 1/20 0.52
▸ CDK4 P11802 1/20 0.52
▸ CDK2 P24941 1/20 0.52
▸ AURKB Q96GD4 1/20 0.52
▸ JAK3 P52333 2/20 0.50
▸ JAK1 P23458 1/20 0.50
▸ TYK2 P29597 1/20 0.50
▸ KDR P35968 1/20 0.50
▸ PTK2 Q05397 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 0.88 JAK2 (0.59) JAK2FLT3PLK4MAPK8MAPK10
SCHEMBL3050025 0.87 JAK2 (0.57) JAK2FLT3PLK4MAPK8MAPK10
SCHEMBL3043740 0.85 JAK2 (0.58) JAK2FLT3PLK4MAPK8MAPK10
SCHEMBL3052850 0.84 FLT3 (0.73) JAK2FLT3PLK4MAPK8MAPK10
SCHEMBL7617932 0.83 CCNB2 (0.58) JAK2FLT3AURKACDK4CDK2
SCHEMBL3052529 0.81 JAK2 (0.58) JAK2FLT3PLK4MAPK8MAPK10
SCHEMBL3049599 0.81 JAK2 (0.60) JAK2FLT3PLK4MAPK8MAPK10
SCHEMBL3049594 0.81 JAK2 (0.55) JAK2FLT3MAPK8MAPK10AURKA
SCHEMBL3036434 0.79 FLT3 (0.55) JAK2FLT3MAPK8MAPK10AURKA
SCHEMBL3050088 0.79 CDK1 (0.73) JAK2FLT3AURKACDK4CDK2

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 7 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
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 16/4885FLT3 11/4885PLK4 417/4885

“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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