Sugi Predict

Sugi Predict / Compounds / SCHEMBL9956271

SCHEMBL9956271

SCHEMBL9956271

CC(C)(C)C(=O)Nc1cc(-c2cn3nc(N4CCC(O)CC4)ccc3n2)ccc1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 2/20 0.38
▸ KDR P35968 1/20 0.37
▸ CSNK1D P48730 4/20 0.37
▸ CSNK1E P49674 4/20 0.37
▸ CKS1B P61024 6/20 0.35
▸ SKP1 P63208 6/20 0.35
▸ SKP2 Q13309 6/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ HTR1F P30939 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ PTGER4 P35408 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 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
SCHEMBL9956948 0.90 PTGER4 (0.40) RBP4KDRCSNK1DCSNK1ENPC1
SCHEMBL9956696 0.88 RBP4 (0.42) RBP4CSNK1DCSNK1ECKS1BSKP1
SCHEMBL9955779 0.86 RIPK1 (0.38) KDRCSNK1DCSNK1ENPC1RAB9A
SCHEMBL9955783 0.86 RIPK1 (0.38) KDRCSNK1DCSNK1ENPC1RAB9A
SCHEMBL17328342 0.86 RIPK1 (0.38) KDRCSNK1DCSNK1ENPC1RAB9A
SCHEMBL9955445 0.85 KDR (0.39) RBP4KDRCSNK1DCSNK1ENPC1
SCHEMBL9957049 0.85 CCNC (0.37) KDRCSNK1DCSNK1EKDM4ERXFP1
SCHEMBL9957047 0.85 CCNC (0.37) KDRCSNK1DCSNK1EKDM4ERXFP1
SCHEMBL9957526 0.84 KDR (0.40) KDRCSNK1DCSNK1ENPC1RAB9A
SCHEMBL17328315 0.84 CLK2 (0.40) RBP4CSNK1DCSNK1ERXFP1

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 RBP4 4304/4885KDR 1625/4885CSNK1D 655/4885

“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.