SCHEMBL3048140

SCHEMBL3048140

c1ccc(COc2ccc3[nH]cc(-c4ccnc(Nc5ccc(N6CCOCC6)cc5)n4)c3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 8/20 0.55
▸ FLT3 P36888 3/20 0.54
▸ PLK4 O00444 4/20 0.51
▸ CCNT1 O60563 1/20 0.49
▸ CDK9 P50750 1/20 0.49
▸ SMG1 Q96Q15 1/20 0.48
▸ JAK3 P52333 2/20 0.47
▸ CDK2 P24941 2/20 0.47
▸ CDK1 P06493 1/20 0.47
▸ CCNB1 P14635 1/20 0.47
▸ CCNE1 P24864 1/20 0.47
▸ JAK1 P23458 1/20 0.46
▸ TYK2 P29597 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ PTK2 Q05397 1/20 0.46
▸ AURKA O14965 1/20 0.46
▸ CDK4 P11802 1/20 0.46
▸ AURKB Q96GD4 1/20 0.46
▸ ITK Q08881 1/20 0.46

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 0.85 JAK2 (0.66) JAK2FLT3PLK4CCNT1CDK9
SCHEMBL3052850 0.83 FLT3 (0.73) JAK2FLT3PLK4CCNT1CDK9
SCHEMBL3049599 0.82 JAK2 (0.60) JAK2FLT3PLK4CCNT1CDK9
SCHEMBL3053424 0.78 JAK2 (0.61) JAK2FLT3SMG1JAK3JAK1
SCHEMBL12801110 0.77 JAK2 (0.66) JAK2PLK4SMG1JAK3JAK1
SCHEMBL12800900 0.77 JAK2 (0.66) JAK2PLK4SMG1JAK3TYK2
SCHEMBL4508216 0.77 FLT3 (0.69) JAK2FLT3CCNT1CDK9CDK2
SCHEMBL3050088 0.77 CDK1 (0.73) JAK2FLT3CCNT1CDK9CDK2
SCHEMBL3052529 0.77 JAK2 (0.58) JAK2FLT3PLK4CCNT1CDK9
SCHEMBL3051460 0.76 JAK2 (0.58) JAK2FLT3JAK3CDK2AURKA

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 5 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
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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