SCHEMBL9956523

SCHEMBL9956523

COc1cc(CN(Cc2cc(OC)cc(OC)c2)c2cc(-c3cn4nc(OC)ccc4n3)ccc2C)cc(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
TP53 P04637 4/20 0.39
RXFP1 Q9HBX9 3/20 0.39
MAPT P10636 3/20 0.39
ALDH1A3 P47895 2/20 0.38
F2RL3 Q96RI0 8/20 0.36
KDM4E B2RXH2 3/20 0.35
F2 P00734 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PKM P14618 1/20 0.34
APP P05067 1/20 0.33

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
SCHEMBL9956069 0.81 MAPT (0.40) LMNATP53RXFP1MAPTALDH1A3
SCHEMBL10276965 0.76 APP (0.42) LMNATP53RXFP1MAPTALDH1A3
Bromide SCHEMBL5309783 0.73 ALDH1A3 (0.41) LMNATP53RXFP1MAPTALDH1A3
SCHEMBL10277110 0.72 RAB9A (0.48) LMNATP53RXFP1MAPTF2RL3
SCHEMBL9957592 0.70 MEN1 (0.39) LMNATP53RXFP1MAPTALDH1A3
SCHEMBL9956845 0.67 MAPT (0.42) LMNATP53RXFP1MAPTKDM4E
SCHEMBL9957607 0.67 THRB (0.52) LMNATP53RXFP1MAPTKDM4E
SCHEMBL9955666 0.66 TTK (0.51) LMNARXFP1MAPTKDM4ERAB9A
SCHEMBL9956889 0.64 RXFP1 (0.46) LMNATP53RXFP1MAPTKDM4E
SCHEMBL17232704 0.63 DYRK1A (0.50) KDM4ENPC1RAB9AHPGDHSD17B10

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 LMNA 966/4885TP53 10/4885RXFP1 1308/4885

“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.