SCHEMBL9956047

SCHEMBL9956047

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.41
LMNA P02545 3/20 0.40
RXFP1 Q9HBX9 3/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 1/20 0.40
PDK1 Q15118 3/20 0.38
PDK2 Q15119 3/20 0.38
PDK3 Q15120 3/20 0.38
PDK4 Q16654 3/20 0.38
THRB P10828 1/20 0.38
KDR P35968 1/20 0.38
F2RL3 Q96RI0 1/20 0.37
RBP4 P02753 1/20 0.37
CSNK1D P48730 5/20 0.37
CSNK1E P49674 5/20 0.37
RIPK1 Q13546 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL9955880 0.91 TP53 (0.42) LMNARXFP1TP53MAPTKDR
SCHEMBL9957032 0.85 CSNK1D (0.44) LMNARXFP1TP53MAPTTHRB
SCHEMBL9956592 0.82 RXFP1 (0.41) LMNARXFP1TP53MAPTTHRB
SCHEMBL9957558 0.81 RBP4 (0.44) LMNARXFP1TP53MAPTKDR
SCHEMBL9955524 0.80 MAPT (0.42) LMNARXFP1TP53MAPTCSNK1D
SCHEMBL9956845 0.80 MAPT (0.42) LMNARXFP1TP53MAPTTHRB
SCHEMBL9956500 0.80 EGFR (0.44) LMNARXFP1TP53MAPTKDR
SCHEMBL9957135 0.80 KDR (0.48) LMNARXFP1MAPTTHRBKDR
SCHEMBL9956519 0.80 CSNK1D (0.42) TP53CSNK1DCSNK1ERIPK1
SCHEMBL9956379 0.79 RXFP1 (0.42) PTGESLMNARXFP1TP53MAPT

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 5 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
US-20120178804-A1 NITROGEN-CONTAINING INORGANIC CARRIER MATERIALS LANXESS DEUTSCHLAND GMBH (DE) 2012-07-12 US 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 (2 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-20120178804-A1 NITROGEN-CONTAINING INORGANIC CARRIER MATERIALS SLCO4C1, SLCO2B1, SLCO2A1 PTGES 4250/4885LMNA 1122/4885RXFP1 3844/4885
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 PTGES 2396/4885LMNA 966/4885RXFP1 1308/4885

“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.