SCHEMBL9957607

SCHEMBL9957607

COc1ccc2nc(-c3ccc(C)c(NC(=O)Cc4ccc(Cl)cc4)c3)cn2n1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.52
TP53 P04637 6/20 0.51
MAPT P10636 6/20 0.51
HPGD P15428 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 3/20 0.46
RXFP1 Q9HBX9 2/20 0.46
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 2/20 0.41
ESR1 P03372 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL9956845 0.80 MAPT (0.42) THRBTP53MAPTLMNARXFP1
SCHEMBL9955666 0.79 TTK (0.51) MAPTHPGDSMN1; SMN2LMNARXFP1
SCHEMBL9955217 0.77 CSNK1D (0.45) TP53MAPTSMN1; SMN2LMNARXFP1
SCHEMBL9957032 0.76 CSNK1D (0.44) THRBTP53MAPTHPGDSMN1; SMN2
SCHEMBL9956889 0.76 RXFP1 (0.46) TP53MAPTLMNARXFP1KMT2A
SCHEMBL9955266 0.75 USP28 (0.44) TP53MAPTSMN1; SMN2LMNARXFP1
SCHEMBL9957592 0.75 MEN1 (0.39) TP53MAPTSMN1; SMN2LMNARXFP1
SCHEMBL9955880 0.74 TP53 (0.42) TP53MAPTHPGDSMN1; SMN2LMNA
SCHEMBL9956069 0.74 MAPT (0.40) TP53MAPTLMNARXFP1KMT2A
SCHEMBL9956592 0.74 RXFP1 (0.41) THRBTP53MAPTHPGDLMNA

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 THRB 2240/4885TP53 10/4885MAPT 4038/4885

“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.