SCHEMBL9956592

SCHEMBL9956592

COc1ccc2nc(-c3ccc(Cl)c(NC(=O)CC(C)C(F)(F)F)c3)cn2n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 7/20 0.41
LMNA P02545 4/20 0.41
TP53 P04637 4/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
THRB P10828 1/20 0.36
KDR P35968 1/20 0.36
RBP4 P02753 1/20 0.35
F2RL3 Q96RI0 1/20 0.35
POLB P06746 1/20 0.35
RIPK1 Q13546 1/20 0.35

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
SCHEMBL9957032 0.88 CSNK1D (0.44) RXFP1LMNATP53MAPTALDH1A1
SCHEMBL9956047 0.82 PTGES (0.41) RXFP1LMNATP53MAPTALDH1A1
SCHEMBL9955880 0.82 TP53 (0.42) RXFP1LMNATP53MAPTMEN1
SCHEMBL9955565 0.81 CSNK1D (0.39) RXFP1TP53MAPTMEN1KMT2A
SCHEMBL9957135 0.77 KDR (0.48) RXFP1LMNAMAPTKDM4EHSD17B10
SCHEMBL9957607 0.74 THRB (0.52) RXFP1LMNATP53MAPTMEN1
SCHEMBL9957558 0.73 RBP4 (0.44) RXFP1LMNATP53MAPTKDR
SCHEMBL9956976 0.72 RXFP1 (0.47) RXFP1LMNATP53MAPTKDM4E
SCHEMBL9956500 0.71 EGFR (0.44) RXFP1LMNATP53MAPTKDR
SCHEMBL9956845 0.71 MAPT (0.42) RXFP1LMNATP53MAPTKDM4E

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 1308/4885LMNA 966/4885TP53 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.