SCHEMBL9956063

SCHEMBL9956063

CC(C)(C)C(=O)Nc1cc(-c2cn3nc(-c4cccc(CO)c4)ccc3n2)ccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.47
PTGER4 P35408 2/20 0.46
CSNK1D P48730 7/20 0.42
CSNK1E P49674 7/20 0.42
FYN P06241 6/20 0.41
PIK3CA P42336 1/20 0.40
NTRK1 P04629 2/20 0.40
RIPK1 Q13546 1/20 0.40

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
SCHEMBL9956706 0.89 RXFP1 (0.47) RXFP1CSNK1DCSNK1EFYNPIK3CA
SCHEMBL9955737 0.89 RXFP1 (0.47) RXFP1CSNK1DCSNK1EFYNPIK3CA
SCHEMBL9956532 0.89 CSNK1D (0.47) RXFP1CSNK1DCSNK1EPIK3CARIPK1
SCHEMBL9957069 0.88 RXFP1 (0.46) RXFP1CSNK1DCSNK1EFYNPIK3CA
SCHEMBL9955890 0.87 RXFP1 (0.47) RXFP1CSNK1DCSNK1EPIK3CARIPK1
SCHEMBL9956460 0.86 PIK3CD (0.49) RXFP1CSNK1DCSNK1EPIK3CARIPK1
SCHEMBL9956146 0.86 RXFP1 (0.45) RXFP1CSNK1DCSNK1EFYNPIK3CA
SCHEMBL9955830 0.86 PIK3CG (0.48) RXFP1CSNK1DCSNK1EFYNPIK3CA
SCHEMBL9954976 0.86 RXFP1 (0.46) RXFP1CSNK1DCSNK1EPIK3CARIPK1
SCHEMBL9956646 0.86 CSNK1D (0.53) RXFP1CSNK1DCSNK1EPIK3CARIPK1

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 1308/4885PTGER4 1765/4885CSNK1D 655/4885

“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.