Sugi Predict

Sugi Predict / Compounds / SCHEMBL9956503

SCHEMBL9956503

SCHEMBL9956503

CC(C)(C)CC(=O)Nc1cc(-c2cn3nc(-c4cccnc4C(F)(F)F)ccc3n2)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 8/20 0.41
▸ CSNK1E P49674 8/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ KCNQ3 O43525 2/20 0.39
▸ KCNQ2 O43526 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SLC2A1 P11166 1/20 0.38
▸ TP53 P04637 1/20 0.36
▸ RIPK1 Q13546 1/20 0.36
▸ POLB P06746 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
SCHEMBL9956314 0.94 CSNK1D (0.46) CSNK1DCSNK1ERXFP1SLC2A1TP53
SCHEMBL9956268 0.92 CSNK1D (0.42) CSNK1DCSNK1ERXFP1NPC1RAB9A
SCHEMBL9956571 0.91 RXFP1 (0.40) CSNK1DCSNK1ERXFP1NPC1RAB9A
SCHEMBL9956004 0.90 CSNK1D (0.42) CSNK1DCSNK1EKDM4EALDH1A1SMN1; SMN2
SCHEMBL17328326 0.89 CSNK1D (0.42) CSNK1DCSNK1ERXFP1SLC2A1TP53
SCHEMBL9955565 0.88 CSNK1D (0.39) CSNK1DCSNK1ERXFP1KDM4EALDH1A1
SCHEMBL9954707 0.88 CSNK1D (0.40) CSNK1DCSNK1ERXFP1TP53RIPK1
SCHEMBL9956519 0.88 CSNK1D (0.42) CSNK1DCSNK1ETP53RIPK1
SCHEMBL9956993 0.87 CSNK1D (0.39) CSNK1DCSNK1ERXFP1TP53RIPK1
SCHEMBL9955694 0.87 CSNK1D (0.40) CSNK1DCSNK1ERXFP1SLC2A1TP53

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-8871767-B2 2-arylimidazo[1,2-B]pyridazine, 2-phenylimidazo[1,2-A]pyridine, and 2-phenylimidazo[1,2-A]pyrazine derivatives HENGRUI (USA) LTD. (US) 2014-10-28 — — US claimed
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 CSNK1D 655/4885CSNK1E 852/4885RXFP1 1308/4885

“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.