SCHEMBL9956944

SCHEMBL9956944

O=C(COc1ccccc1)Nc1cccc(-c2cn3cccnc3n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 1.00
MAPT P10636 7/20 1.00
POLB P06746 6/20 1.00
RAB9A P51151 4/20 1.00
KMT2A Q03164 2/20 1.00
CLK1 P49759 1/20 1.00
KDM4E B2RXH2 6/20 0.72
ALDH1A1 P00352 6/20 0.72
LMNA P02545 1/20 0.72
GLA P06280 4/20 0.70
GAA P10253 4/20 0.70
NPC1 O15118 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
RXFP1 Q9HBX9 1/20 0.67
TDP1 Q9NUW8 2/20 0.63
THRB P10828 1/20 0.63
HPGD P15428 2/20 0.61
HSD17B10 Q99714 2/20 0.61
MEN1 O00255 1/20 0.61
CYP1A2 P05177 1/20 0.61

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
SCHEMBL31126933 0.82 KDM4E (0.80) TP53MAPTPOLBRAB9AKMT2A
SCHEMBL1494686 0.78 TP53 (0.74) TP53MAPTPOLBRAB9AKMT2A
SCHEMBL1494614 0.76 GAA (1.00) TP53MAPTPOLBRAB9AKMT2A
SCHEMBL1494807 0.76 RXFP1 (0.70) TP53MAPTPOLBRAB9AKMT2A
SCHEMBL14348340 0.75 MAPT (0.60) TP53MAPTPOLBRAB9AKMT2A
SCHEMBL1494967 0.75 KDM4E (1.00) TP53MAPTPOLBRAB9AKDM4E
SCHEMBL1494783 0.75 TDP1 (0.72) TP53MAPTPOLBRAB9AKDM4E
SCHEMBL2740051 0.74 KDM4E (1.00) TP53MAPTPOLBRAB9AKDM4E
SCHEMBL3671367 0.72 ALDH1A1 (1.00) TP53MAPTPOLBRAB9AKMT2A
SCHEMBL23407675 0.72 ALDH1A1 (0.73) TP53MAPTPOLBRAB9AKMT2A

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 6 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
US-8871767-B2 2-arylimidazo[1,2-B]pyridazine, 2-phenylimidazo[1,2-A]pyridine, and 2-phenylimidazo[1,2-A]pyrazine derivatives HENGRUI (USA) LTD. (US) 2014-10-28 US disclosed
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 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 TP53 10/4885MAPT 4038/4885POLB 958/4885

“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.