SCHEMBL9956910

SCHEMBL9956910

CC1CNCCN1c1ccc2nc(-c3ccc(C(F)(F)F)c(NC(=O)C(C)(C)C)c3)cn2n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.39
HTR2A P28223 2/20 0.38
KCNH2 Q12809 1/20 0.38
CSNK1D P48730 4/20 0.36
CSNK1E P49674 4/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MTOR P42345 1/20 0.35
KHK P50053 1/20 0.34
IRAK4 Q9NWZ3 3/20 0.33
RBP4 P02753 1/20 0.33
CHEK1 O14757 1/20 0.33
PIK3CA P42336 1/20 0.33
WDR5 P61964 1/20 0.32
RIPK1 Q13546 1/20 0.32

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
SCHEMBL10277120 1.00 HTR2C (0.39) HTR2CHTR2AKCNH2CSNK1DCSNK1E
SCHEMBL9956840 0.87 RBP4 (0.39) CSNK1DCSNK1ERXFP1KHKRBP4
SCHEMBL9955249 0.87 MTOR (0.40) CSNK1DCSNK1ERXFP1MTORIRAK4
SCHEMBL9956893 0.84 RXFP1 (0.35) CSNK1DCSNK1ERXFP1MTORRBP4
SCHEMBL9955389 0.83 NPC1 (0.42) KCNH2CSNK1DCSNK1ERXFP1RBP4
SCHEMBL9956696 0.82 RBP4 (0.42) KCNH2CSNK1DCSNK1ERXFP1RBP4
SCHEMBL9956228 0.82 RBP4 (0.45) CSNK1DCSNK1ERXFP1RBP4PIK3CA
SCHEMBL9956644 0.81 NTRK1 (0.41) CSNK1DCSNK1ERXFP1RBP4
SCHEMBL9956642 0.81 NTRK1 (0.41) CSNK1DCSNK1ERXFP1RBP4
SCHEMBL9957086 0.81 WDR5 (0.40) CSNK1DCSNK1ERXFP1IRAK4RBP4

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 HTR2C 249/4885HTR2A 142/4885KCNH2 584/4885

“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.