SCHEMBL9956296

SCHEMBL9956296

CC(C)(C)C(=O)Nc1cc(-c2cn3nc(N4CCN(C(=N)N)CC4)ccc3n2)ccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RBP4 P02753 2/20 0.39
RXFP1 Q9HBX9 2/20 0.38
HRH4 Q9H3N8 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CSNK1D P48730 4/20 0.36
CSNK1E P49674 4/20 0.36
ALDH1A1 P00352 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CA P42336 1/20 0.35
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 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
SCHEMBL9957086 0.90 WDR5 (0.40) MAPTGAAPOLBLMNATP53
SCHEMBL9956998 0.89 RXFP1 (0.40) MAPTGAAPOLBLMNATP53
SCHEMBL9956228 0.89 RBP4 (0.45) MAPTGAAPOLBLMNATP53
SCHEMBL9956365 0.89 RET (0.41) MAPTGAAPOLBLMNATP53
SCHEMBL9956669 0.88 RBP4 (0.41) MAPTGAAPOLBLMNATP53
SCHEMBL9956893 0.88 RXFP1 (0.35) MAPTGAAPOLBLMNATP53
SCHEMBL9957029 0.87 RXFP1 (0.39) MAPTGAAPOLBLMNATP53
SCHEMBL9956696 0.87 RBP4 (0.42) MAPTGAAPOLBLMNATP53
SCHEMBL9955249 0.87 MTOR (0.40) MAPTGAAPOLBLMNATP53
SCHEMBL9956020 0.87 RBP4 (0.48) GAARBP4RXFP1CSNK1DCSNK1E

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 MAPT 4038/4885GAA 2741/4885POLB 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.