SCHEMBL9957045

SCHEMBL9957045

O=C(Nc1cc(-c2cn3nc(-c4cccnc4C(F)(F)F)ccc3n2)ccc1Cl)N1CC(F)(F)C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 9/20 0.38
CSNK1E P49674 9/20 0.38
PIK3C3 Q8NEB9 2/20 0.36
RIPK1 Q13546 1/20 0.36
TRPV1 Q8NER1 2/20 0.35
DHODH Q02127 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
TP53 P04637 1/20 0.34
PIK3CA P42336 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL9956603 0.92 RIPK1 (0.38) CSNK1DCSNK1EPIK3C3RIPK1DHODH
SCHEMBL9956987 0.91 MAPT (0.40) CSNK1DCSNK1ETRPV1DHODHRXFP1
SCHEMBL9957444 0.89 PIK3C3 (0.37) CSNK1DCSNK1EPIK3C3RIPK1DHODH
SCHEMBL17328326 0.88 CSNK1D (0.42) CSNK1DCSNK1ERIPK1DHODHRXFP1
SCHEMBL9956174 0.85 CSNK1D (0.40) CSNK1DCSNK1ERIPK1DHODHRXFP1
SCHEMBL9956297 0.85 CSNK1D (0.44) CSNK1DCSNK1ERXFP1
SCHEMBL9956004 0.85 CSNK1D (0.42) CSNK1DCSNK1ETP53
SCHEMBL9956314 0.84 CSNK1D (0.46) CSNK1DCSNK1ERIPK1DHODHRXFP1
SCHEMBL9956227 0.84 CSNK1D (0.40) CSNK1DCSNK1ERIPK1DHODHRXFP1
SCHEMBL9957489 0.84 CSNK1D (0.38) CSNK1DCSNK1EDHODHPIK3CA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-8871767-B2 2-arylimidazo[1,2-B]pyridazine, 2-phenylimidazo[1,2-A]pyridine, and 2-phenylimidazo[1,2-A]pyrazine derivatives HENGRUI (USA) LTD. (US) 2014-10-28 US claimed
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 CSNK1D 655/4885CSNK1E 852/4885PIK3C3 2640/4885

“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.