SCHEMBL9957308

SCHEMBL9957308

CC(C)(C)C(=O)Nc1cc(-c2cn3nc(-c4cccnc4N)ccc3n2)ccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.45
CSNK1D P48730 13/20 0.42
CSNK1E P49674 13/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NTRK1 P04629 1/20 0.38
TTK P33981 1/20 0.38
RIPK1 Q13546 1/20 0.38
AKT1 P31749 1/20 0.37

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
SCHEMBL9957311 0.91 CSNK1D (0.44) PIK3CACSNK1DCSNK1ERXFP1NTRK1
SCHEMBL9956261 0.91 CSNK1D (0.42) PIK3CACSNK1DCSNK1ERXFP1NTRK1
SCHEMBL9957066 0.91 CSNK1D (0.44) PIK3CACSNK1DCSNK1ERXFP1NTRK1
SCHEMBL9954746 0.90 CSNK1D (0.42) PIK3CACSNK1DCSNK1ERXFP1NTRK1
SCHEMBL9957278 0.89 RXFP1 (0.45) PIK3CACSNK1DCSNK1ERXFP1NTRK1
SCHEMBL9956246 0.89 CSNK1D (0.44) PIK3CACSNK1DCSNK1ERXFP1NTRK1
SCHEMBL9956574 0.88 RXFP1 (0.49) PIK3CACSNK1DCSNK1ERXFP1NTRK1
SCHEMBL9956564 0.86 RXFP1 (0.46) PIK3CACSNK1DCSNK1ERXFP1TTK
SCHEMBL9954984 0.86 RXFP1 (0.46) PIK3CACSNK1DCSNK1ERXFP1TTK
SCHEMBL9957310 0.86 RXFP1 (0.46) PIK3CACSNK1DCSNK1ERXFP1NTRK1

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 PIK3CA 475/4885CSNK1D 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.