Sugi Predict

Sugi Predict / Compounds / SCHEMBL9956830

SCHEMBL9956830

SCHEMBL9956830

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 4/20 0.43
▸ TP53 P04637 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ CSNK1D P48730 5/20 0.41
▸ CSNK1E P49674 5/20 0.41
▸ PIK3CD O00329 2/20 0.41
▸ PIK3CG P48736 2/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ POLB P06746 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ LMNA P02545 1/20 0.38

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
SCHEMBL9956705 0.91 CSNK1D (0.42) RIPK1TP53SMN1; SMN2MAPTCSNK1D
SCHEMBL9955669 0.89 KDM4E (0.43) RIPK1TP53SMN1; SMN2MAPTCSNK1D
SCHEMBL9956160 0.89 CSNK1D (0.45) RIPK1TP53CSNK1DCSNK1ELMNA
SCHEMBL9955668 0.88 RXFP1 (0.47) RIPK1TP53SMN1; SMN2CSNK1DCSNK1E
SCHEMBL9956448 0.87 RXFP1 (0.46) RIPK1TP53MAPTCSNK1DCSNK1E
SCHEMBL9956871 0.86 RIPK1 (0.43) RIPK1CSNK1DCSNK1EPIK3CDPIK3CG
SCHEMBL9955573 0.86 CSNK1D (0.40) RIPK1MAPTCSNK1DCSNK1EPIK3CG
SCHEMBL9956892 0.86 CSNK1D (0.45) TP53MAPTCSNK1DCSNK1EPOLB
SCHEMBL9956540 0.85 MAPT (0.42) TP53MAPTCSNK1DCSNK1EPOLB
SCHEMBL9956282 0.85 RIPK1 (0.44) RIPK1TP53MAPTCSNK1DCSNK1E

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 RIPK1 4566/4885TP53 10/4885SMN1; SMN2 1880/4885

“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.