SCHEMBL9955295

SCHEMBL9955295

COC(=O)c1ccc(CNc2ccc3nc(-c4ccc(C)c(NC(=O)C(C)(C)C)c4)cn3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 6/20 0.38
TP53 P04637 4/20 0.38
RXFP1 Q9HBX9 3/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.37
ALDH1A3 P47895 1/20 0.37
KDM4E B2RXH2 3/20 0.37
CSNK1D P48730 3/20 0.36
CSNK1E P49674 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
JAK2 O60674 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL9956012 0.90 HDAC8 (0.43) POLBALDH1A1KDM4ECSNK1DCSNK1E
SCHEMBL9957199 0.90 CSNK1D (0.38) MAPTTP53RXFP1LMNAALDH1A1
SCHEMBL9956501 0.87 ALDH1A1 (0.43) KMT2AMEN1POLBMAPTTP53
SCHEMBL9955473 0.86 ALDH1A1 (0.46) KMT2AMEN1POLBMAPTTP53
SCHEMBL9956797 0.85 HDAC1 (0.49)
SCHEMBL9956009 0.82 KDR (0.37) NPC1RAB9AJAK2
SCHEMBL9957330 0.81 MAPT (0.43) MAPTTP53RXFP1LMNAALDH1A1
SCHEMBL9956553 0.79 HDAC4 (0.44)
SCHEMBL9956845 0.79 MAPT (0.42) POLBMAPTTP53RXFP1LMNA
SCHEMBL9957221 0.78 CSNK1D (0.44) KMT2AMEN1POLBMAPTTP53

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 KMT2A 727/4885MEN1 1837/4885POLB 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.