Sugi Predict

Sugi Predict / Compounds / SCHEMBL9957047

SCHEMBL9957047

SCHEMBL9957047

CC(C)(C)C(=O)Nc1cc(-c2cn3nc(N4CC[C@@H](O)C4)ccc3n2)ccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 2/20 0.37
▸ CDK8 P49336 2/20 0.37
▸ P2RX7 Q99572 2/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ CSNK1D P48730 1/20 0.35
▸ CSNK1E P49674 1/20 0.35
▸ PRKAB2 O43741 3/20 0.35
▸ PRKAG1 P54619 3/20 0.35
▸ PRKAA2 P54646 3/20 0.35
▸ PRKAA1 Q13131 3/20 0.35
▸ PRKAG3 Q9UGI9 3/20 0.35
▸ PRKAG2 Q9UGJ0 3/20 0.35
▸ PRKAB1 Q9Y478 3/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ DPP8 Q6V1X1 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35
▸ DPP7 Q9UHL4 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL9957049 1.00 CCNC (0.37) CCNCCDK8P2RX7IRAK4CSNK1D
SCHEMBL17328342 0.91 RIPK1 (0.38) IRAK4CSNK1DCSNK1EDPP4DPP8
SCHEMBL9955783 0.91 RIPK1 (0.38) IRAK4CSNK1DCSNK1EDPP4DPP8
SCHEMBL9955779 0.91 RIPK1 (0.38) IRAK4CSNK1DCSNK1EDPP4DPP8
SCHEMBL9956873 0.88 CLK2 (0.40) CCNCCDK8IRAK4CSNK1DCSNK1E
SCHEMBL9955490 0.88 CLK2 (0.40) CCNCCDK8IRAK4CSNK1DCSNK1E
SCHEMBL17328315 0.88 CLK2 (0.40) CCNCCDK8IRAK4CSNK1DCSNK1E
SCHEMBL9956948 0.86 PTGER4 (0.40) CSNK1DCSNK1EKDM4EMAPTKDR
SCHEMBL9956271 0.85 RBP4 (0.38) CSNK1DCSNK1EKDM4EKDRRXFP1
SCHEMBL9956238 0.85 SUV39H2 (0.36) CCNCCDK8P2RX7IRAK4PRKAB2

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 CCNC 611/4885CDK8 824/4885P2RX7 79/4885

“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.