Sugi Predict

Sugi Predict / Compounds / SCHEMBL2803387

SCHEMBL2803387

SCHEMBL2803387

CC(C)Oc1ccc(C[C@H](N)C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.45
▸ SLC6A4 P31645 1/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ ACACB O00763 4/20 0.43
▸ PARP10 Q53GL7 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALDH1A3 P47895 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL12313578 0.80 SLC6A4 (0.68) SLC6A4
SCHEMBL10508149 0.77 POLB (0.49) POLBSLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL9886035 0.76 DPP4 (0.40) CYP1A2ALDH1A1
SCHEMBL6196209 0.75 POLB (0.55) POLBSLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL16553364 0.75 CTSC (0.41) SLC6A4CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL19781563 0.74 POLB (0.50) POLBCYP1A2CYP2D6CYP2C19GAA
SCHEMBL15775340 0.73 PARP10 (0.43) POLBCYP1A2CYP2D6CYP2C19GAA
SCHEMBL23340080 0.72 LTA4H (0.61) CYP1A2CYP2C19GAALMNASMN1; SMN2
SCHEMBL19982072 0.72 LTA4H (0.61) CYP1A2CYP2C19GAALMNASMN1; SMN2
SCHEMBL6755451 0.72 PARP1 (0.36) SLC6A4CYP1A2CYP2C19ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 — — US disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 — — US disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 — — US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 — — US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 — — US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 — — US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 — — US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 — — US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 — — US disclosed
WO-2010108059-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF THE HISTAMINE H4 RECEPTOR INCYTE CORPORATION (US) 2010-09-23 — — 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 (2 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-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS HRH4, HRH2, HRH1 POLB 3768/4885SLC6A4 1214/4885CYP1A2 814/4885
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS HRH4, HRH2, HRH1 POLB 3084/4885SLC6A4 307/4885CYP1A2 479/4885

“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.