SCHEMBL9957438

SCHEMBL9957438

CC(C)(C)C(=O)Nc1cc(-c2cn3nc(-c4ccncc4)ccc3n2)ccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.46
CSNK1D P48730 14/20 0.44
CSNK1E P49674 14/20 0.44
PIK3CA P42336 2/20 0.43
DYRK1A Q13627 1/20 0.43
RIPK1 Q13546 1/20 0.41
PIK3CG P48736 1/20 0.41
TTK P33981 1/20 0.38

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
SCHEMBL9955007 0.93 RIPK1 (0.47) RXFP1CSNK1DCSNK1EPIK3CARIPK1
SCHEMBL9956952 0.91 RXFP1 (0.47) RXFP1CSNK1DCSNK1EPIK3CARIPK1
SCHEMBL9956862 0.91 RXFP1 (0.47) RXFP1CSNK1DCSNK1EPIK3CARIPK1
SCHEMBL9956646 0.91 CSNK1D (0.53) RXFP1CSNK1DCSNK1EPIK3CARIPK1
SCHEMBL9956173 0.91 RXFP1 (0.46) RXFP1CSNK1DCSNK1EPIK3CARIPK1
SCHEMBL9954976 0.90 RXFP1 (0.46) RXFP1CSNK1DCSNK1EPIK3CARIPK1
SCHEMBL9957084 0.90 CSNK1D (0.44) RXFP1CSNK1DCSNK1EPIK3CADYRK1A
SCHEMBL9955664 0.90 PIK3CA (0.44) RXFP1CSNK1DCSNK1EPIK3CARIPK1
SCHEMBL9955645 0.89 RXFP1 (0.46) RXFP1CSNK1DCSNK1EPIK3CARIPK1
SCHEMBL9955711 0.88 PIK3CA (0.49) RXFP1CSNK1DCSNK1EPIK3CADYRK1A

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 RXFP1 1308/4885CSNK1D 655/4885CSNK1E 852/4885

“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.