Sugi Predict

Sugi Predict / Compounds / SCHEMBL9957086

SCHEMBL9957086

SCHEMBL9957086

CN1CCN(c2ccc3nc(-c4ccc(C(F)(F)F)c(NC(=O)C(C)(C)C)c4)cn3n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 6/20 0.40
▸ CSNK1D P48730 5/20 0.40
▸ CSNK1E P49674 5/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ RBP4 P02753 2/20 0.39
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ NTRK1 P04629 1/20 0.36
▸ NTRK3 Q16288 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36

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
SCHEMBL9956228 0.92 RBP4 (0.45) WDR5CSNK1DCSNK1ERXFP1RBP4
SCHEMBL10277611 0.91 RXFP1 (0.39) WDR5CSNK1DCSNK1ERXFP1RBP4
SCHEMBL10277613 0.91 RXFP1 (0.39) WDR5CSNK1DCSNK1ERXFP1RBP4
SCHEMBL9956998 0.91 RXFP1 (0.40) CSNK1DCSNK1ERXFP1RBP4MAPT
SCHEMBL9955249 0.90 MTOR (0.40) WDR5CSNK1DCSNK1ERXFP1RBP4
SCHEMBL9957029 0.90 RXFP1 (0.39) CSNK1DCSNK1ERXFP1RBP4MAPT
SCHEMBL9956020 0.90 RBP4 (0.48) CSNK1DCSNK1ERXFP1RBP4GAA
SCHEMBL9956696 0.90 RBP4 (0.42) CSNK1DCSNK1ERXFP1RBP4MAPT
SCHEMBL10277151 0.90 POLB (0.41) CSNK1DCSNK1ERXFP1RBP4MAPT
SCHEMBL9956296 0.90 MAPT (0.40) CSNK1DCSNK1ERXFP1RBP4MAPT

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 WDR5 3430/4885CSNK1D 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.