Sugi Predict

Sugi Predict / Compounds / SCHEMBL9955217

SCHEMBL9955217

SCHEMBL9955217

COc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc(F)cc4Cl)c3)cn2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 10/20 0.45
▸ CSNK1E P49674 10/20 0.45
▸ MAPT P10636 4/20 0.43
▸ TP53 P04637 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KDR P35968 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 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
▸ MAPK1 P28482 1/20 0.39
▸ AVPR2 P30518 1/20 0.39
▸ OXTR P30559 1/20 0.39
▸ AVPR1A P37288 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ RIPK1 Q13546 1/20 0.39

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
SCHEMBL9955266 0.87 USP28 (0.44) MAPTTP53LMNARXFP1SMN1; SMN2
SCHEMBL9956889 0.85 RXFP1 (0.46) CSNK1DCSNK1EMAPTTP53LMNA
SCHEMBL9956289 0.81 RBP4 (0.46) MAPTTP53LMNARXFP1MEN1
SCHEMBL9955666 0.81 TTK (0.51) MAPTLMNARXFP1SMN1; SMN2KDR
SCHEMBL9956845 0.79 MAPT (0.42) CSNK1DCSNK1EMAPTTP53LMNA
SCHEMBL9957607 0.77 THRB (0.52) MAPTTP53LMNARXFP1SMN1; SMN2
SCHEMBL9957534 0.77 KIT (0.51) LMNAKDRKDM4EALDH1A1GLA
SCHEMBL9957592 0.75 MEN1 (0.39) MAPTTP53LMNARXFP1SMN1; SMN2
SCHEMBL9955880 0.74 TP53 (0.42) CSNK1DCSNK1EMAPTTP53LMNA
SCHEMBL9956047 0.73 PTGES (0.41) CSNK1DCSNK1EMAPTTP53LMNA

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.