Sugi Predict

Sugi Predict / Compounds / SCHEMBL9956110

SCHEMBL9956110

SCHEMBL9956110

CC(C)(C)C(=O)Nc1cc(-c2cn3ncccc3n2)ccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.43
▸ RBP4 P02753 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CSNK1D P48730 4/20 0.37
▸ CSNK1E P49674 4/20 0.37
▸ ADORA1 P30542 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ TSHR P16473 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ TTK P33981 1/20 0.35
▸ PIK3CA P42336 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
SCHEMBL9955990 0.86 MAPT (0.45) NPC1RAB9ACYP1A2POLBCYP2C9
SCHEMBL9956743 0.85 RAB9A (0.42) NPC1RAB9ACSNK1DCSNK1EADORA1
SCHEMBL9954976 0.85 RXFP1 (0.46) RXFP1CYP1A2CYP2C9CSNK1DCSNK1E
SCHEMBL9956077 0.84 RXFP1 (0.44) RXFP1RBP4CSNK1DCSNK1ETP53
SCHEMBL9956093 0.84 RXFP1 (0.44) RXFP1CSNK1DCSNK1ETP53ALDH1A1
SCHEMBL9957438 0.83 RXFP1 (0.46) RXFP1CSNK1DCSNK1ETTKPIK3CA
SCHEMBL9956564 0.83 RXFP1 (0.46) RXFP1NPC1RAB9ACYP2C9CSNK1D
SCHEMBL9956857 0.83 CSNK1D (0.43) RXFP1NPC1RAB9ACSNK1DCSNK1E
SCHEMBL9957311 0.83 CSNK1D (0.44) RXFP1CSNK1DCSNK1EPIK3CA
SCHEMBL9956261 0.83 CSNK1D (0.42) RXFP1CSNK1DCSNK1EPIK3CA

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
US-8871767-B2 2-arylimidazo[1,2-B]pyridazine, 2-phenylimidazo[1,2-A]pyridine, and 2-phenylimidazo[1,2-A]pyrazine derivatives HENGRUI (USA) LTD. (US) 2014-10-28 — — US disclosed
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 disclosed
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 disclosed
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 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 RXFP1 1308/4885RBP4 4304/4885NPC1 2650/4885

“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.