SCHEMBL9956642

SCHEMBL9956642

CC(C)(C)C(=O)Nc1cc(-c2cn3nc(N4CCC[C@@H]4CO)ccc3n2)ccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.41
ITGB2 P05107 4/20 0.39
ICAM1 P05362 4/20 0.39
ITGAL P20701 4/20 0.39
RXFP1 Q9HBX9 1/20 0.38
SYK P43405 2/20 0.37
RBP4 P02753 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
CSNK1D P48730 2/20 0.35
CSNK1E P49674 2/20 0.35
FPR2 P25090 1/20 0.34
SCN9A Q15858 1/20 0.34
CNR2 P34972 1/20 0.34
BRAF P15056 1/20 0.34
ACVR1 Q04771 1/20 0.33
TACR1 P25103 1/20 0.33
TACR3 P29371 1/20 0.33

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
SCHEMBL9956644 1.00 NTRK1 (0.41) NTRK1ITGB2ICAM1ITGALRXFP1
SCHEMBL9956840 0.87 RBP4 (0.39) NTRK1RXFP1SYKRBP4CSNK1D
SCHEMBL9955993 0.86 RBP4 (0.40) NTRK1ITGB2ICAM1ITGALRXFP1
SCHEMBL9956651 0.84 RBP4 (0.41) NTRK1RXFP1RBP4CSNK1DCSNK1E
SCHEMBL9956696 0.84 RBP4 (0.42) RXFP1RBP4CSNK1DCSNK1E
SCHEMBL9956228 0.83 RBP4 (0.45) RXFP1RBP4CSNK1DCSNK1E
SCHEMBL17328321 0.83 RBP4 (0.41) NTRK1RXFP1RBP4CSNK1DCSNK1E
SCHEMBL9956186 0.83 RBP4 (0.41) NTRK1RXFP1RBP4CSNK1DCSNK1E
SCHEMBL17328337 0.83 RBP4 (0.41) NTRK1RXFP1RBP4CSNK1DCSNK1E
SCHEMBL9955389 0.83 NPC1 (0.42) RXFP1RBP4CSNK1DCSNK1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635578-A1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES Hengrui (USA) Ltd. (US) 2013-09-11 EP claimed
US-20120178751-A1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES HENGRUI (USA), LTD. 2012-07-12 US claimed
WO-2012088411-A1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES PAMLICO PHARMACEUTICAL INC. (US) 2012-06-28 WO claimed
EP-2635578-B1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES HENGRUI USA LTD (US) 2015-12-16 EP 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-20120178751-A1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES PRXL2A, CDK2, CCNA2 NTRK1 2666/4885ITGB2 1292/4885ICAM1 4549/4885

“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.