SCHEMBL9956069

SCHEMBL9956069

COc1cc(CNc2cc(-c3cn4nc(OC)ccc4n3)ccc2C)cc(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
RXFP1 Q9HBX9 5/20 0.40
LMNA P02545 4/20 0.40
TP53 P04637 4/20 0.40
TGFBR1 P36897 1/20 0.40
MAPK14 Q16539 1/20 0.40
ALDH1A1 P00352 2/20 0.38
ALDH1A3 P47895 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
JAK2 O60674 1/20 0.35
PTK2 Q05397 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ACP1 P24666 2/20 0.34

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
SCHEMBL9957592 0.87 MEN1 (0.39) MAPTRXFP1LMNATP53ALDH1A1
SCHEMBL9956523 0.81 LMNA (0.39) MAPTRXFP1LMNATP53ALDH1A1
SCHEMBL9956845 0.75 MAPT (0.42) MAPTRXFP1LMNATP53ALDH1A1
SCHEMBL10276965 0.75 APP (0.42) MAPTRXFP1LMNATP53ALDH1A1
SCHEMBL9957607 0.74 THRB (0.52) MAPTRXFP1LMNATP53ALDH1A1
SCHEMBL9955666 0.73 TTK (0.51) MAPTRXFP1LMNAMAPK14ALDH1A1
Bromide SCHEMBL5309783 0.72 ALDH1A3 (0.41) MAPTRXFP1LMNATP53ALDH1A1
SCHEMBL10277110 0.71 RAB9A (0.48) MAPTRXFP1LMNATP53ALDH1A1
SCHEMBL9956889 0.71 RXFP1 (0.46) MAPTRXFP1LMNATP53ALDH1A1
SCHEMBL9956501 0.69 ALDH1A1 (0.43) MAPTRXFP1LMNATP53ALDH1A1

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 MAPT 4038/4885RXFP1 1308/4885LMNA 966/4885

“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.