Sugi Predict

Sugi Predict / Compounds / SCHEMBL9955668

SCHEMBL9955668

SCHEMBL9955668

CC(=O)Nc1ccccc1-c1ccc2nc(-c3ccc(C(F)(F)F)c(NC(=O)C(C)(C)C)c3)cn2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.47
▸ PIK3CA P42336 1/20 0.45
▸ RIPK1 Q13546 7/20 0.42
▸ CSNK1D P48730 4/20 0.42
▸ CSNK1E P49674 4/20 0.42
▸ TTK P33981 1/20 0.41
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TACR1 P25103 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL9956574 0.92 RXFP1 (0.49) RXFP1PIK3CARIPK1CSNK1DCSNK1E
SCHEMBL9957310 0.90 RXFP1 (0.46) RXFP1PIK3CARIPK1CSNK1DCSNK1E
SCHEMBL9954984 0.90 RXFP1 (0.46) RXFP1PIK3CARIPK1CSNK1DCSNK1E
SCHEMBL9956360 0.90 RXFP1 (0.45) RXFP1PIK3CARIPK1CSNK1DCSNK1E
SCHEMBL9957278 0.90 RXFP1 (0.45) RXFP1PIK3CARIPK1CSNK1DCSNK1E
SCHEMBL9956830 0.88 RIPK1 (0.43) PIK3CARIPK1CSNK1DCSNK1ETTK
SCHEMBL9955602 0.88 RXFP1 (0.44) RXFP1PIK3CARIPK1CSNK1DCSNK1E
SCHEMBL9956972 0.88 PIK3CD (0.46) RXFP1RIPK1CSNK1DCSNK1ETTK
SCHEMBL9955256 0.87 RIPK1 (0.44) RXFP1RIPK1CSNK1DCSNK1E
SCHEMBL9957066 0.86 CSNK1D (0.44) RXFP1PIK3CARIPK1CSNK1DCSNK1E

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 RXFP1 1308/4885PIK3CA 475/4885RIPK1 4566/4885

“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.