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Sugi Predict / Compounds / SCHEMBL9956504

SCHEMBL9956504

SCHEMBL9956504

COc1ccc2nc(-c3ccc(F)c(NC(=O)c4ccco4)c3)cn2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.48
▸ RAB9A P51151 6/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ LMNA P02545 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ PABPC1 P11940 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ TSHR P16473 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ LCLAT1 Q6UWP7 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ MAPK1 P28482 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CRHBP P24387 1/20 0.41

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
SCHEMBL9956889 0.78 RXFP1 (0.46) RAB9ALMNATP53RXFP1KMT2A
SCHEMBL9956976 0.76 RXFP1 (0.47) NPC1RAB9ALMNATP53RXFP1
SCHEMBL9955666 0.76 TTK (0.51) RAB9ASMN1; SMN2LMNARXFP1KMT2A
SCHEMBL9956289 0.73 RBP4 (0.46) RAB9ALMNATP53RXFP1KMT2A
SCHEMBL9955217 0.73 CSNK1D (0.45) SMN1; SMN2LMNATP53RXFP1KMT2A
SCHEMBL9957534 0.72 KIT (0.51) LMNAKDM4EALDH1A1
SCHEMBL9956845 0.71 MAPT (0.42) RAB9ALMNATP53RXFP1MAPT
SCHEMBL9957558 0.71 RBP4 (0.44) LMNATP53RXFP1MAPT
SCHEMBL9955880 0.71 TP53 (0.42) RAB9ASMN1; SMN2LMNATP53RXFP1
SCHEMBL13498758 0.71 NPC1 (0.56) NPC1RAB9ASMN1; SMN2LMNATP53

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 NPC1 2650/4885RAB9A 3019/4885SMN1; 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.