Sugi Predict

Sugi Predict / Compounds / SCHEMBL9956840

SCHEMBL9956840

SCHEMBL9956840

CC1CCCCN1c1ccc2nc(-c3ccc(C(F)(F)F)c(NC(=O)C(C)(C)C)c3)cn2n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ RCE1 Q9Y256 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ CSNK1D P48730 3/20 0.36
▸ CSNK1E P49674 3/20 0.36
▸ SYK P43405 2/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ ASIC3 Q9UHC3 1/20 0.35
▸ TP53 P04637 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ KHK P50053 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
SCHEMBL9956910 0.87 HTR2C (0.39) RBP4RXFP1CSNK1DCSNK1EKHK
SCHEMBL10277120 0.87 HTR2C (0.39) RBP4RXFP1CSNK1DCSNK1EKHK
SCHEMBL9956644 0.87 NTRK1 (0.41) RBP4RXFP1CSNK1DCSNK1ESYK
SCHEMBL9956642 0.87 NTRK1 (0.41) RBP4RXFP1CSNK1DCSNK1ESYK
SCHEMBL9956228 0.87 RBP4 (0.45) RBP4RXFP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL9955389 0.86 NPC1 (0.42) RBP4RXFP1ALDH1A1SMN1; SMN2CSNK1D
SCHEMBL9956893 0.85 RXFP1 (0.35) RBP4RXFP1SMN1; SMN2CSNK1DCSNK1E
SCHEMBL9956696 0.85 RBP4 (0.42) RBP4RXFP1ALDH1A1SMN1; SMN2CSNK1D
SCHEMBL9957462 0.84 RBP4 (0.44) RBP4RXFP1CSNK1DCSNK1EMCHR1
SCHEMBL9956669 0.84 RBP4 (0.41) RBP4RXFP1ALDH1A1SMN1; SMN2CSNK1D

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 4304/4885RXFP1 1308/4885KDM4E 2693/4885

“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.