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Sugi Predict / Compounds / SCHEMBL9956918

SCHEMBL9956918

SCHEMBL9956918

CCOC(=O)COc1ccc(C(F)(F)F)c(-c2ccc3nc(-c4ccc(C)c(NC(=O)C(C)(C)C)c4)cn3n2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 8/20 0.38
▸ CSNK1E P49674 8/20 0.38
▸ MAPT P10636 2/20 0.37
▸ RIPK1 Q13546 4/20 0.36
▸ RXFP1 Q9HBX9 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PIK3CA P42336 1/20 0.35
▸ IDH1 O75874 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPK14 Q16539 1/20 0.34
▸ SMO Q99835 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
SCHEMBL9956878 0.94 MAPT (0.38) CSNK1DCSNK1EMAPTRIPK1RXFP1
SCHEMBL9956353 0.92 CSNK1D (0.36) CSNK1DCSNK1EMAPTRIPK1RXFP1
SCHEMBL9956536 0.92 PDK2 (0.36) CSNK1DCSNK1EMAPTRIPK1RXFP1
SCHEMBL9955275 0.91 PDK2 (0.36) CSNK1DCSNK1EMAPTRIPK1RXFP1
SCHEMBL9957092 0.91 PDK2 (0.36) CSNK1DCSNK1EMAPTRIPK1RXFP1
SCHEMBL10277116 0.89 PDK2 (0.36) CSNK1DCSNK1EMAPTRIPK1RXFP1
SCHEMBL10277200 0.86 PDK2 (0.37) CSNK1DCSNK1EMAPTRIPK1RXFP1
SCHEMBL9955468 0.86 PDK2 (0.38) CSNK1DCSNK1EMAPTRIPK1RXFP1
SCHEMBL9955470 0.85 CSNK1D (0.38) CSNK1DCSNK1EMAPTRIPK1RXFP1
SCHEMBL9956649 0.85 PDK2 (0.38) CSNK1DCSNK1EMAPTRIPK1RXFP1

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 CSNK1D 655/4885CSNK1E 852/4885MAPT 4038/4885

“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.