SCHEMBL9956360

SCHEMBL9956360

CC(C)(C)C(=O)Nc1cc(-c2cn3nc(-c4ccccc4Cl)ccc3n2)ccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.45
CSNK1D P48730 11/20 0.42
CSNK1E P49674 11/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MITF O75030 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KLF5 Q13887 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TTK P33981 1/20 0.39
PIK3CA P42336 1/20 0.39
TP53 P04637 1/20 0.39
DHODH Q02127 1/20 0.38
NTRK1 P04629 1/20 0.38
RIPK1 Q13546 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
SCHEMBL9956574 0.92 RXFP1 (0.49) RXFP1CSNK1DCSNK1ETTKPIK3CA
SCHEMBL9957310 0.90 RXFP1 (0.46) RXFP1CSNK1DCSNK1ETTKPIK3CA
SCHEMBL9954984 0.90 RXFP1 (0.46) RXFP1CSNK1DCSNK1ETTKPIK3CA
SCHEMBL9955668 0.90 RXFP1 (0.47) RXFP1CSNK1DCSNK1EKDM4EALDH1A1
SCHEMBL9957278 0.90 RXFP1 (0.45) RXFP1CSNK1DCSNK1ETTKPIK3CA
SCHEMBL9957089 0.89 CSNK1D (0.45) RXFP1CSNK1DCSNK1EPIK3CA
SCHEMBL9954746 0.89 CSNK1D (0.42) RXFP1CSNK1DCSNK1EPIK3CANTRK1
SCHEMBL9955669 0.88 KDM4E (0.43) RXFP1CSNK1DCSNK1EMEN1KMT2A
SCHEMBL9955602 0.88 RXFP1 (0.44) RXFP1CSNK1DCSNK1ETTKPIK3CA
SCHEMBL9956972 0.88 PIK3CD (0.46) RXFP1CSNK1DCSNK1ETTKRIPK1

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 1308/4885CSNK1D 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.