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SCHEMBL9955993

SCHEMBL9955993

CC(C)(C)C(=O)Nc1cc(-c2cn3nc(N4CCCC(CO)C4)ccc3n2)ccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 2/20 0.40
▸ ITGB2 P05107 1/20 0.40
▸ ICAM1 P05362 1/20 0.40
▸ ITGAL P20701 1/20 0.40
▸ PTGER4 P35408 2/20 0.38
▸ RXFP1 Q9HBX9 2/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ KHK P50053 1/20 0.36
▸ CLK2 P49760 2/20 0.36
▸ LRRK2 Q5S007 2/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ SCN5A Q14524 1/20 0.36
▸ FPR1 P21462 1/20 0.36
▸ FPR2 P25090 1/20 0.36
▸ DPP4 P27487 1/20 0.35
▸ DPP8 Q6V1X1 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35
▸ DPP7 Q9UHL4 1/20 0.35
▸ NTRK1 P04629 1/20 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
SCHEMBL9956186 0.90 RBP4 (0.41) RBP4RXFP1CLK2LRRK2KCNH2
SCHEMBL17328321 0.90 RBP4 (0.41) RBP4RXFP1CLK2LRRK2KCNH2
SCHEMBL17328337 0.90 RBP4 (0.41) RBP4RXFP1CLK2LRRK2KCNH2
SCHEMBL9956651 0.89 RBP4 (0.41) RBP4RXFP1CLK2LRRK2KCNH2
SCHEMBL9956228 0.87 RBP4 (0.45) RBP4RXFP1CSNK1DCSNK1EKDM4E
SCHEMBL9956873 0.87 CLK2 (0.40) RBP4ITGB2ICAM1ITGALRXFP1
SCHEMBL9955490 0.87 CLK2 (0.40) RBP4ITGB2ICAM1ITGALRXFP1
SCHEMBL17328315 0.87 CLK2 (0.40) RBP4ITGB2ICAM1ITGALRXFP1
SCHEMBL9956642 0.86 NTRK1 (0.41) RBP4ITGB2ICAM1ITGALRXFP1
SCHEMBL9956644 0.86 NTRK1 (0.41) RBP4ITGB2ICAM1ITGALRXFP1

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 4304/4885ITGB2 1292/4885ICAM1 4549/4885

“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.