SCHEMBL9955778

SCHEMBL9955778

CCOc1ccc2nc(-c3ccc(C(F)(F)F)c(NC(=O)Cc4ccccc4)c3)cn2n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.49
POLB P06746 2/20 0.46
TTK P33981 3/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE10A Q9Y233 1/20 0.40
TP53 P04637 4/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 3/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.38
RET P07949 2/20 0.38
PIK3CA P42336 1/20 0.38

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
SCHEMBL9956278 0.88 RXFP1 (0.47) RXFP1POLBTTKKDM4ESMN1; SMN2
SCHEMBL9954724 0.87 RXFP1 (0.45) RXFP1POLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL9955278 0.85 PTGES (0.43) RXFP1POLBTTKKDM4EALDH1A1
SCHEMBL9956844 0.85 RXFP1 (0.43) RXFP1POLBKDM4EPDE10ATP53
SCHEMBL9956734 0.84 RXFP1 (0.43) RXFP1POLBKDM4EPDE10ATP53
SCHEMBL9956379 0.84 RXFP1 (0.42) RXFP1POLBTTKKDM4EPDE10A
SCHEMBL9955424 0.83 KDR (0.41) RXFP1KDM4E
SCHEMBL9956035 0.82 KDM4E (0.42) RXFP1KDM4ETP53LMNAMAPT
SCHEMBL9955986 0.81 KDM4E (0.43) RXFP1KDM4EALDH1A1SMN1; SMN2TP53
SCHEMBL9956016 0.81 KDM4E (0.42) RXFP1KDM4ESMN1; SMN2

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 RXFP1 1308/4885POLB 958/4885TTK 3789/4885

“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.