SCHEMBL3137642

SCHEMBL3137642

Cc1cc(Nc2ccc(N)c(N[C@@H](CO)c3ccc(F)cc3)n2)n[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 7/20 0.50
JAK2 O60674 9/20 0.48
JAK3 P52333 8/20 0.48
CYP3A4 P08684 3/20 0.48
CYP2C8 P10632 3/20 0.48
CYP2C9 P11712 3/20 0.48
JAK1 P23458 3/20 0.48
TYK2 P29597 3/20 0.48
CYP2C19 P33261 3/20 0.48
ADORA3 P0DMS8 2/20 0.48
CYP1A2 P05177 1/20 0.48
LIMK1 P53667 1/20 0.45
LIMK2 P53671 1/20 0.45
CCNT1 O60563 2/20 0.44
CDK9 P50750 2/20 0.44
CDK2 P24941 2/20 0.44
AURKB Q96GD4 2/20 0.41
AURKA O14965 1/20 0.41
PLK4 O00444 1/20 0.40
PAK4 O96013 1/20 0.40

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
SCHEMBL3137662 1.00 NTRK1 (0.50) NTRK1JAK2JAK3CYP3A4CYP2C8
SCHEMBL4696346 0.92 JAK2 (0.50) NTRK1JAK2JAK3CYP3A4CYP2C8
SCHEMBL4696343 0.92 JAK2 (0.50) NTRK1JAK2JAK3CYP3A4CYP2C8
SCHEMBL2568019 0.85 NTRK1 (0.54) NTRK1JAK2JAK3CYP3A4CYP2C8
SCHEMBL27856027 0.84 NTRK1 (0.64) NTRK1JAK2JAK3
SCHEMBL2569981 0.84 NTRK1 (0.52) NTRK1JAK2JAK3CYP3A4CYP2C8
SCHEMBL2565272 0.84 NTRK1 (0.64) NTRK1JAK2JAK3
SCHEMBL2569978 0.84 NTRK1 (0.52) NTRK1JAK2JAK3CYP3A4CYP2C8
SCHEMBL2568696 0.83 NTRK1 (0.52) NTRK1JAK2JAK3CYP3A4CYP2C8
SCHEMBL4694101 0.82 NTRK1 (0.60) NTRK1JAK2JAK3CYP3A4CYP2C8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853602-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2010-07-14 EP disclosed
US-7622482-B2 anticancer agents; tyrosine kinase inhibitors based on pyrazole-3-amine linked through amine to fused heterocyclic ring such as benzimidazole, or imidazo[4,5-b]pyridine; e.g. N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(1-(4-fluorophenyl)ethyl)-3H-imidazo[4,5-b]pyridin-5-amine ASTRAZENECA (SE) 2009-11-24 US disclosed
US-20090137624-A1 anticancer agents; tyrosine kinase inhibitors based on pyrazole-3-amine linked through amine to fused heterocyclic ring such as benzimidazole, or imidazo[4,5-b]pyridine; e.g. N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(1-(4-fluorophenyl)ethyl)-3H-imidazo[4,5-b]pyridin-5-amine ASTRAZENECA AB (SE) 2009-05-28 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-20090137624-A1 anticancer agents; tyrosine kinase inhibitors based on pyrazole-3-amine linked through amine to fused heterocyclic ring such as benzimidazole, or imidazo[4,5-b]pyridine; e.g. N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(1-(4-fluorophenyl)ethyl)-3H-imidazo[4,5-b]pyridin-5-amine ERBB4, ERBB2, ABL1 NTRK1 535/4885JAK2 61/4885JAK3 32/4885

“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.