SCHEMBL9956034

SCHEMBL9956034

CC(C)(C)C(=O)Nc1cc(-c2cn3nc(N4CCC(N5CCOCC5)CC4)ccc3n2)ccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.45
FLT3 P36888 1/20 0.41
MET P08581 1/20 0.38
ENPP2 Q13822 1/20 0.36
DYRK1A Q13627 3/20 0.36
WDR5 P61964 2/20 0.36
CSNK1E P49674 4/20 0.36
CSNK1D P48730 3/20 0.36
DYRK3 O43781 1/20 0.36
CLK1 P49759 1/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
F2RL3 Q96RI0 1/20 0.36
FGFR1 P11362 2/20 0.35
EGFR P00533 1/20 0.35
BRAF P15056 1/20 0.35

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
SCHEMBL9956020 0.92 RBP4 (0.48) RBP4CSNK1ECSNK1DCLK2CLK4
SCHEMBL9956551 0.90 CLK2 (0.39) RBP4WDR5CSNK1ECSNK1DCLK2
SCHEMBL9956696 0.89 RBP4 (0.42) RBP4CSNK1ECSNK1DCLK2RXFP1
SCHEMBL9955389 0.88 NPC1 (0.42) RBP4CSNK1ECSNK1DCLK2RXFP1
SCHEMBL9956669 0.87 RBP4 (0.41) RBP4FLT3CSNK1ECSNK1DCLK2
SCHEMBL9956228 0.85 RBP4 (0.45) RBP4WDR5CSNK1ECSNK1DRXFP1
SCHEMBL9956873 0.85 CLK2 (0.40) RBP4CSNK1ECSNK1DCLK2RXFP1
SCHEMBL9955490 0.85 CLK2 (0.40) RBP4CSNK1ECSNK1DCLK2RXFP1
SCHEMBL17328315 0.85 CLK2 (0.40) RBP4CSNK1ECSNK1DCLK2RXFP1
SCHEMBL9957086 0.85 WDR5 (0.40) RBP4WDR5CSNK1ECSNK1DRXFP1

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 RBP4 4304/4885FLT3 163/4885MET 2796/4885

“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.