SCHEMBL13086862

SCHEMBL13086862

Fc1ccnc2[nH]cc(-c3ccnc(Nc4ccc(N5CCOCC5)cc4)n3)c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 13/20 0.59
▸ CDK2 P24941 3/20 0.56
▸ AURKA O14965 2/20 0.56
▸ CDK4 P11802 2/20 0.56
▸ AURKB Q96GD4 2/20 0.56
▸ SYK P43405 2/20 0.53
▸ PLK4 O00444 4/20 0.53
▸ JAK3 P52333 4/20 0.52
▸ JAK1 P23458 2/20 0.52
▸ TYK2 P29597 2/20 0.52
▸ CDK1 P06493 2/20 0.52
▸ CCNE1 P24864 2/20 0.52
▸ FLT3 P36888 2/20 0.52
▸ CDC7 O00311 1/20 0.52
▸ CIT O14578 1/20 0.52
▸ CHEK1 O14757 1/20 0.52
▸ GAK O14976 1/20 0.52
▸ EPHB6 O15197 1/20 0.52
▸ PDPK1 O15530 1/20 0.52
▸ DAPK3 O43293 1/20 0.52

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
SCHEMBL3050025 0.90 JAK2 (0.57) JAK2CDK2AURKACDK4AURKB
SCHEMBL3048118 0.88 JAK2 (0.58) JAK2CDK2AURKACDK4AURKB
SCHEMBL3050088 0.82 CDK1 (0.73) JAK2CDK2AURKACDK4AURKB
SCHEMBL3043740 0.82 JAK2 (0.58) JAK2CDK2AURKACDK4AURKB
SCHEMBL3044992 0.82 JAK2 (0.55) JAK2CDK2AURKACDK4AURKB
SCHEMBL3052529 0.81 JAK2 (0.58) JAK2CDK2AURKACDK4AURKB
SCHEMBL3049599 0.81 JAK2 (0.60) JAK2CDK2AURKACDK4AURKB
SCHEMBL3049594 0.80 JAK2 (0.55) JAK2CDK2AURKACDK4AURKB
SCHEMBL3052850 0.80 FLT3 (0.73) JAK2CDK2AURKACDK4AURKB
SCHEMBL4385729 0.77 JAK2 (0.78) JAK2PLK4JAK3JAK1TYK2

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 2 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 disclosed
US-20100267707-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. (US) 2010-10-21 — — US 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 16/4885CDK2 145/4885AURKA 333/4885

“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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