Sugi Predict

Sugi Predict / Compounds / SCHEMBL6913736

SCHEMBL6913736

SCHEMBL6913736

COC(=O)c1nc(Oc2ccc(F)cc2C)n(C(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE1A P54750 1/20 0.37
▸ PDE1B Q01064 1/20 0.37
▸ PDE1C Q14123 1/20 0.37
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ CARM1 Q86X55 1/20 0.35
▸ PRMT6 Q96LA8 1/20 0.35
▸ NPBWR1 P48145 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ P2RX3 P56373 1/20 0.35
▸ SLC6A4 P31645 1/20 0.34
▸ LYN P07948 1/20 0.34
▸ BTK Q06187 1/20 0.34
▸ CTSA P10619 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ NOTUM Q6P988 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
SCHEMBL6915242 0.88 MRGPRX4 (0.38) PDE1APDE1BPDE1CHTR2AHTR2C
SCHEMBL6914931 0.78 PDE1A (0.39) PDE1APDE1BPDE1CHTR2AHTR2C
SCHEMBL25374750 0.69 NPC1 (0.45) SCN9ASLC6A4KDM4EALDH1A1SMN1; SMN2
SCHEMBL30530075 0.69 NPC1 (0.45) SCN9ASLC6A4KDM4EALDH1A1SMN1; SMN2
SCHEMBL24518268 0.68 MAPT (0.48) ALDH1A1
SCHEMBL2149266 0.68 PSEN1 (0.42) SLC6A4
SCHEMBL27144921 0.67 CA1 (0.49) CARM1PRMT6KDM4EALDH1A1SMN1; SMN2
SCHEMBL24518263 0.66 SCN8A (0.45) NPBWR1MCHR1
SCHEMBL28921178 0.66 GAA (0.49) ALDH1A1
SCHEMBL1100780 0.66 KDM4E (0.46) CARM1PRMT6NPBWR1MCHR1KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079886-B2 Substituted triazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-07-14 — — US disclosed
US-9079886-B2 Substituted triazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-07-14 — — US disclosed
EP-2523949-B1 NOVEL SUBSTITUTED TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2014-08-20 — — EP disclosed
US-20120295891-A1 NOVEL SUBSTITUTED TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-11-22 — — US disclosed
US-20120295891-A1 NOVEL SUBSTITUTED TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-11-22 — — US disclosed
WO-2011086099-A1 NOVEL SUBSTITUTED TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2011-07-21 — — 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-20120295891-A1 NOVEL SUBSTITUTED TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A PDE1A 1077/4885PDE1B 1156/4885PDE1C 2149/4885

“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.