Sugi Predict

Sugi Predict / Compounds / SCHEMBL9957064

SCHEMBL9957064

SCHEMBL9957064

CC1CN(c2ccc3nc(-c4ccc(OC(F)(F)F)c(NC(=O)C(C)(C)C)c4)cn3n2)CC(C)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 2/20 0.38
▸ CLK2 P49760 2/20 0.38
▸ LRRK2 Q5S007 2/20 0.38
▸ KDR P35968 2/20 0.38
▸ EGFR P00533 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ GPR183 P32249 1/20 0.38
▸ CSNK1D P48730 4/20 0.35
▸ CSNK1E P49674 4/20 0.35
▸ WDR5 P61964 2/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ F2RL3 Q96RI0 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ TDO2 P48775 1/20 0.33

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
SCHEMBL9955000 1.00 SMO (0.38) SMOCLK2LRRK2KDREGFR
SCHEMBL9956203 0.88 CLK2 (0.46) CLK2LRRK2CSNK1DCSNK1EWDR5
SCHEMBL9959341 0.88 CLK2 (0.46) CLK2LRRK2CSNK1DCSNK1EWDR5
SCHEMBL9955948 0.87 GAA (0.41) KDREGFRFGFR1CSNK1DCSNK1E
SCHEMBL9955445 0.87 KDR (0.39) KDREGFRFGFR1CSNK1DCSNK1E
SCHEMBL9955566 0.83 POLB (0.41) KDREGFRFGFR1CSNK1DCSNK1E
SCHEMBL9956169 0.81 EGFR (0.43) KDREGFRFGFR1CSNK1DCSNK1E
SCHEMBL9956500 0.81 EGFR (0.44) KDREGFRFGFR1CSNK1DCSNK1E
SCHEMBL9956551 0.79 CLK2 (0.39) CLK2LRRK2CSNK1DCSNK1EWDR5
SCHEMBL9956664 0.78 KDR (0.43) KDREGFRFGFR1CSNK1DCSNK1E

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 SMO 3233/4885CLK2 746/4885LRRK2 2501/4885

“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.