SCHEMBL3051460

SCHEMBL3051460

Cn1cc(-c2ccc3[nH]cc(-c4ccnc(Nc5ccc(N6CCOCC6)cc5)n4)c3c2)cn1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 10/20 0.58
▸ FLT3 P36888 2/20 0.53
▸ TTK P33981 1/20 0.52
▸ JAK3 P52333 2/20 0.51
▸ MYLK4 Q86YV6 2/20 0.50
▸ STK17A Q9UEE5 2/20 0.50
▸ MAPK10 P53779 2/20 0.50
▸ JUN P05412 1/20 0.50
▸ MAPK8 P45983 1/20 0.50
▸ MAPK9 P45984 1/20 0.50
▸ PIM1 P11309 1/20 0.49
▸ PIM3 Q86V86 1/20 0.49
▸ PIM2 Q9P1W9 1/20 0.49
▸ ACVR1 Q04771 1/20 0.49
▸ AURKA O14965 1/20 0.49
▸ CDK4 P11802 1/20 0.49
▸ CDK2 P24941 1/20 0.49
▸ AURKB Q96GD4 1/20 0.49

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
SCHEMBL3035592 0.87 JAK2 (0.66) JAK2FLT3JAK3MYLK4STK17A
SCHEMBL3053424 0.86 JAK2 (0.61) JAK2FLT3JAK3MYLK4STK17A
SCHEMBL3049599 0.83 JAK2 (0.60) JAK2FLT3JAK3MAPK10MAPK8
SCHEMBL3052850 0.81 FLT3 (0.73) JAK2FLT3MAPK10MAPK8AURKA
SCHEMBL3052529 0.77 JAK2 (0.58) JAK2FLT3JAK3MYLK4STK17A
SCHEMBL3049594 0.77 JAK2 (0.55) JAK2FLT3JAK3MYLK4STK17A
SCHEMBL3048140 0.76 JAK2 (0.55) JAK2FLT3JAK3AURKACDK4
SCHEMBL3042330 0.76 FLT3 (0.52) FLT3AURKACDK4CDK2AURKB
SCHEMBL3050088 0.76 CDK1 (0.73) JAK2FLT3AURKACDK4CDK2
SCHEMBL3042306 0.74 FLT3 (0.78) JAK2FLT3CDK4CDK2

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
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 16/4885FLT3 11/4885TTK 294/4885

“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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