SCHEMBL9956889

SCHEMBL9956889

COc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccccc4F)c3)cn2n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.46
TP53 P04637 3/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
BLM P54132 1/20 0.46
CSNK1D P48730 5/20 0.46
CSNK1E P49674 5/20 0.46
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
GLA P06280 3/20 0.42
GAA P10253 3/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
WNT1 P04628 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 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
SCHEMBL9956289 0.89 RBP4 (0.46) RXFP1TP53LMNAMAPTKDM4E
SCHEMBL9955666 0.87 TTK (0.51) RXFP1LMNAMAPTPOLBKDM4E
SCHEMBL9955217 0.85 CSNK1D (0.45) RXFP1TP53LMNAMAPTPOLB
SCHEMBL9956845 0.81 MAPT (0.42) RXFP1TP53LMNAMAPTPOLB
SCHEMBL9957534 0.81 KIT (0.51) LMNAKDM4EALDH1A1GLAGAA
SCHEMBL9955266 0.79 USP28 (0.44) RXFP1TP53LMNAMAPTKDM4E
SCHEMBL9956734 0.79 RXFP1 (0.43) RXFP1TP53LMNAMAPTPOLB
SCHEMBL9956504 0.78 NPC1 (0.48) RXFP1TP53LMNAMAPTPOLB
SCHEMBL9956469 0.76 ALDH1A1 (0.46) RXFP1TP53LMNAMAPTPOLB
SCHEMBL9956467 0.76 ALDH1A1 (0.46) RXFP1TP53LMNAMAPTPOLB

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

“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.