SCHEMBL9955666

SCHEMBL9955666

COc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccccc4)c3)cn2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.51
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 3/20 0.49
GLA P06280 3/20 0.49
GAA P10253 3/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 4/20 0.49
MAPK1 P28482 2/20 0.49
RAB9A P51151 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MAPK14 Q16539 3/20 0.46
SMO Q99835 3/20 0.46
KDR P35968 3/20 0.46
POLB P06746 1/20 0.45
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 2/20 0.43

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
SCHEMBL9957534 0.88 KIT (0.51) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL9956889 0.87 RXFP1 (0.46) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL9956469 0.85 ALDH1A1 (0.46) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL9956467 0.85 ALDH1A1 (0.46) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL9956289 0.85 RBP4 (0.46) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL9956845 0.84 MAPT (0.42) TTKALDH1A1KDM4EGLAGAA
SCHEMBL9955217 0.81 CSNK1D (0.45) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL9955266 0.79 USP28 (0.44) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL9957607 0.79 THRB (0.52) ALDH1A1KDM4ELMNAMAPTRAB9A
SCHEMBL9956278 0.77 RXFP1 (0.47) TTKKDM4EGAAMAPTRXFP1

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 TTK 3789/4885ALDH1A1 334/4885KDM4E 2693/4885

“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.