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SCHEMBL9956522

SCHEMBL9956522

CC(C)(C)C(=O)Nc1cc(-c2cn3nc(N4CCC(F)(F)C4)ccc3n2)ccc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.38
▸ CSNK1D P48730 3/20 0.36
▸ CSNK1E P49674 3/20 0.36
▸ RBP4 P02753 2/20 0.36
▸ MAP3K12 Q12852 2/20 0.36
▸ KIF18A Q8NI77 1/20 0.35
▸ TTK P33981 1/20 0.34
▸ RIPK1 Q13546 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ CACNA1H O95180 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ FASN P49327 1/20 0.33

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
SCHEMBL9957487 0.95 RXFP1 (0.39) RXFP1CSNK1DCSNK1ERBP4TTK
SCHEMBL9955499 0.93 RXFP1 (0.40) RXFP1CSNK1DCSNK1ERBP4TTK
SCHEMBL9955725 0.91 RIPK1 (0.39) RXFP1CSNK1DCSNK1EKIF18ARIPK1
SCHEMBL9956228 0.87 RBP4 (0.45) RXFP1CSNK1DCSNK1ERBP4RIPK1
SCHEMBL9957594 0.87 RBP4 (0.38) RXFP1CSNK1DCSNK1ERBP4MAPT
SCHEMBL9956014 0.86 PTGER4 (0.41) RXFP1CSNK1DCSNK1ERIPK1MAPT
SCHEMBL9957086 0.86 WDR5 (0.40) RXFP1CSNK1DCSNK1ERBP4MAPT
SCHEMBL9956020 0.86 RBP4 (0.48) RXFP1CSNK1DCSNK1ERBP4PIK3CA
SCHEMBL9956696 0.86 RBP4 (0.42) RXFP1CSNK1DCSNK1ERBP4MAPT
SCHEMBL9957029 0.86 RXFP1 (0.39) RXFP1CSNK1DCSNK1ERBP4TTK

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.