SCHEMBL3035592

SCHEMBL3035592

c1ccc(-c2ccc3[nH]cc(-c4ccnc(Nc5ccc(N6CCOCC6)cc5)n4)c3c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 13/20 0.66
▸ FLT3 P36888 1/20 0.59
▸ SMG1 Q96Q15 1/20 0.55
▸ JAK3 P52333 4/20 0.54
▸ JAK1 P23458 2/20 0.54
▸ TYK2 P29597 2/20 0.54
▸ MAPK8 P45983 2/20 0.54
▸ MAPK10 P53779 2/20 0.54
▸ PLK4 O00444 1/20 0.53
▸ CCNT1 O60563 1/20 0.52
▸ CDK9 P50750 1/20 0.52
▸ MYLK4 Q86YV6 1/20 0.51
▸ STK17A Q9UEE5 1/20 0.51

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
SCHEMBL3053424 0.90 JAK2 (0.61) JAK2FLT3SMG1JAK3JAK1
SCHEMBL3052850 0.88 FLT3 (0.73) JAK2FLT3SMG1MAPK8MAPK10
SCHEMBL3051460 0.87 JAK2 (0.58) JAK2FLT3JAK3MAPK8MAPK10
SCHEMBL3049599 0.86 JAK2 (0.60) JAK2FLT3JAK3JAK1TYK2
SCHEMBL3048140 0.85 JAK2 (0.55) JAK2FLT3SMG1JAK3JAK1
SCHEMBL3050088 0.81 CDK1 (0.73) JAK2FLT3CCNT1CDK9
SCHEMBL3052529 0.81 JAK2 (0.58) JAK2FLT3JAK3JAK1TYK2
SCHEMBL3049594 0.80 JAK2 (0.55) JAK2FLT3SMG1JAK3JAK1
SCHEMBL28254694 0.80 JAK2 (1.00) JAK2SMG1JAK3JAK1TYK2
SCHEMBL4517977 0.78 FLT3 (0.73) JAK2FLT3JAK3MAPK8MAPK10

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 11/4885SMG1 579/4885

“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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