SCHEMBL9955145

SCHEMBL9955145

COc1ccc2nc(-c3cc(NC(=O)CC(C)(C)C)ccc3Cl)cn2n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
RXFP1 Q9HBX9 3/20 0.46
TP53 P04637 2/20 0.46
MAPT P10636 2/20 0.46
SUV39H2 Q9H5I1 10/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
ADORA2A P29274 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL9956639 0.88 KDR (0.46) LMNARXFP1TP53MAPTSUV39H2
SCHEMBL9956967 0.83 KDR (0.52) SUV39H2
SCHEMBL9957032 0.76 CSNK1D (0.44) LMNARXFP1TP53MAPTSMN1; SMN2
SCHEMBL9957216 0.75 KDR (0.39) LMNARXFP1TP53MAPTSUV39H2
SCHEMBL9955880 0.73 TP53 (0.42) LMNARXFP1TP53MAPTSMN1; SMN2
SCHEMBL9956047 0.70 PTGES (0.41) LMNARXFP1TP53MAPTSMN1; SMN2
SCHEMBL9956702 0.69 KDR (0.41) LMNARXFP1TP53MAPT
SCHEMBL9956592 0.69 RXFP1 (0.41) LMNARXFP1TP53MAPTHPGD
SCHEMBL10756560 0.67 SUV39H2 (0.47) LMNARXFP1TP53MAPTSUV39H2
SCHEMBL9954724 0.66 RXFP1 (0.45) LMNARXFP1TP53MAPTSMN1; SMN2

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 LMNA 966/4885RXFP1 1308/4885TP53 10/4885

“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.