SCHEMBL9956014

SCHEMBL9956014

Cc1ccc(-c2cn3nc(N4CCC(F)(F)CC4)ccc3n2)cc1NC(=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.41
MAPT P10636 4/20 0.39
GSK3B P49841 1/20 0.39
CSNK1D P48730 6/20 0.38
CSNK1E P49674 6/20 0.38
RIPK1 Q13546 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
RET P07949 1/20 0.34
GSK3A P49840 2/20 0.34
KIT P10721 2/20 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
SCHEMBL9955725 0.96 RIPK1 (0.39) PTGER4MAPTGSK3BCSNK1DCSNK1E
SCHEMBL9957487 0.90 RXFP1 (0.39) PTGER4MAPTGSK3BCSNK1DCSNK1E
SCHEMBL9956948 0.88 PTGER4 (0.40) PTGER4MAPTCSNK1DCSNK1ERIPK1
SCHEMBL9956145 0.88 RBP4 (0.41) CSNK1DCSNK1ENPC1RAB9AKDM4E
SCHEMBL10276959 0.87 CSNK1D (0.37) MAPTCSNK1DCSNK1ERIPK1NPC1
SCHEMBL10276957 0.87 CSNK1D (0.37) MAPTCSNK1DCSNK1ERIPK1NPC1
SCHEMBL9956522 0.86 RXFP1 (0.38) MAPTGSK3BCSNK1DCSNK1ERIPK1
SCHEMBL9956518 0.84 MAPT (0.39) MAPTCSNK1DCSNK1ENPC1RAB9A
SCHEMBL9956510 0.84 MAPT (0.37) MAPTCSNK1DCSNK1ERIPK1NPC1
SCHEMBL9955779 0.83 RIPK1 (0.38) PTGER4MAPTCSNK1DCSNK1ERIPK1

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 PTGER4 1765/4885MAPT 4038/4885GSK3B 2482/4885

“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.