Sugi Predict

Sugi Predict / Compounds / SCHEMBL3380038

SCHEMBL3380038

SCHEMBL3380038

Cn1c(=O)c(Sc2ncc[nH]2)nc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ WNT3A P56704 1/20 0.36
▸ TDP2 O95551 1/20 0.36
▸ BRD4 O60885 2/20 0.35
▸ CHEK2 O96017 1/20 0.35
▸ SCN5A Q14524 3/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ SCN1A P35498 1/20 0.33
▸ SCN4A P35499 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ SCN2A Q99250 1/20 0.33
▸ SCN3A Q9NY46 1/20 0.33
▸ SCN8A Q9UQD0 1/20 0.33
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL3435604 0.81 CYP1A2 (0.39) NPC1RAB9ATDP2BRD4CHEK2
SCHEMBL3473462 0.76 SMN1; SMN2 (0.47) TDP2BRD4CHEK2SCN5ASMN1; SMN2
SCHEMBL3378965 0.75 SCN5A (0.44) TDP2BRD4SCN5ASMN1; SMN2PPARG
SCHEMBL3346365 0.75 TDP2 (0.43) TDP2BRD4CHEK2SCN5ASMN1; SMN2
SCHEMBL3472581 0.74 TDP2 (0.42) TDP2BRD4SCN5ASMN1; SMN2PPARG
SCHEMBL3376728 0.73 TDP2 (0.42) TDP2BRD4SCN5ASMN1; SMN2PPARG
SCHEMBL3353025 0.73 PPARG (0.45) TDP2CHEK2SCN5APPARGHPD
SCHEMBL3475090 0.73 TDP2 (0.42) TDP2BRD4SCN5ASMN1; SMN2PPARG
SCHEMBL3474761 0.73 CHRM5 (0.40) WNT3ATDP2BRD4SCN5ACYP3A4
SCHEMBL3474849 0.72 ALDH1A1 (0.55) TDP2CHEK2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 — — US claimed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 — — US claimed
WO-2010053757-A1 2 -OXOQUINOXALIN BLOCKERS OF THE LATE SODIUM CHANNEL GILEAD PALO ALTO, INC. (US) 2010-05-14 — — WO claimed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 — — US claimed
US-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 — — US disclosed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 — — US disclosed
WO-2010053757-A1 2 -OXOQUINOXALIN BLOCKERS OF THE LATE SODIUM CHANNEL GILEAD PALO ALTO, INC. (US) 2010-05-14 — — WO disclosed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 — — US 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-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 SCN9A 98/4885NPC1 1120/4885RAB9A 1924/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 SCN9A 98/4885NPC1 1120/4885RAB9A 1924/4885

“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.