SCHEMBL9956738

SCHEMBL9956738

Cc1cc(Cl)c(-c2cn3nc(Cl)ccc3n2)cc1NC(=O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MITF O75030 1/20 0.38
HPGD P15428 1/20 0.38
KLF5 Q13887 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CSNK1D P48730 4/20 0.36
CSNK1E P49674 4/20 0.36
TP53 P04637 3/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 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
SCHEMBL9957216 0.88 KDR (0.39) KDM4EALDH1A1MITFHPGDKLF5
SCHEMBL9957471 0.84 MAPT (0.44) KDM4EALDH1A1MITFHPGDKLF5
SCHEMBL9956242 0.81 SUV39H2 (0.36) SUV39H2KDR
SCHEMBL9956345 0.81 CSNK1D (0.38) KDM4EALDH1A1MITFHPGDKLF5
SCHEMBL9956238 0.81 SUV39H2 (0.36) SUV39H2KDR
SCHEMBL9956702 0.78 KDR (0.41) KDM4ECSNK1DCSNK1ETP53LMNA
SCHEMBL9955663 0.76 CSNK1D (0.40) KDM4EALDH1A1MITFHPGDKLF5
SCHEMBL9956093 0.76 RXFP1 (0.44) KDM4EALDH1A1MITFHPGDKLF5
SCHEMBL9957314 0.75 CSNK1D (0.44) KDM4EALDH1A1TDP1CSNK1DCSNK1E
SCHEMBL9955859 0.75 TP53 (0.36) KDM4EALDH1A1MITFHPGDKLF5

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 KDM4E 2693/4885ALDH1A1 334/4885MITF 1804/4885

“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.