Sugi Predict

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SCHEMBL9955783

SCHEMBL9955783

Cc1ccc(-c2cn3nc(N4CCC(O)C4)ccc3n2)cc1NC(=O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 2/20 0.38
▸ PTGER4 P35408 2/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ MAPT P10636 4/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ CSNK1D P48730 2/20 0.36
▸ CSNK1E P49674 2/20 0.36
▸ KDR P35968 2/20 0.36
▸ F2RL3 Q96RI0 1/20 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
▸ WDR5 P61964 1/20 0.35
▸ RXFP1 Q9HBX9 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ RAF1 P04049 1/20 0.34
▸ BRAF P15056 1/20 0.34
▸ TRPV1 Q8NER1 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
SCHEMBL9955779 1.00 RIPK1 (0.38) RIPK1PTGER4FGFR1MAPTIRAK4
SCHEMBL17328342 1.00 RIPK1 (0.38) RIPK1PTGER4FGFR1MAPTIRAK4
SCHEMBL9956948 0.96 PTGER4 (0.40) RIPK1PTGER4FGFR1MAPTCSNK1D
SCHEMBL9957049 0.91 CCNC (0.37) MAPTIRAK4CSNK1DCSNK1EKDR
SCHEMBL9957047 0.91 CCNC (0.37) MAPTIRAK4CSNK1DCSNK1EKDR
SCHEMBL17328316 0.90 KCNH2 (0.38) RIPK1MAPTCSNK1DCSNK1EKDR
SCHEMBL9956308 0.90 KCNH2 (0.38) RIPK1MAPTCSNK1DCSNK1EKDR
SCHEMBL17328329 0.90 KCNH2 (0.38) RIPK1MAPTCSNK1DCSNK1EKDR
SCHEMBL9956578 0.89 KDR (0.39) MAPTCSNK1DCSNK1EKDRDPP4
SCHEMBL9956873 0.89 CLK2 (0.40) IRAK4CSNK1DCSNK1EDPP4DPP8

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 RIPK1 4566/4885PTGER4 1765/4885FGFR1 660/4885

“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.