Sugi Predict

Sugi Predict / Compounds / SCHEMBL3435604

SCHEMBL3435604

SCHEMBL3435604

Cn1c(=O)c(Sc2ccccc2)nc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TDP2 O95551 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ACP1 P24666 1/20 0.38
▸ CHEK2 O96017 2/20 0.38
▸ PPARG P37231 1/20 0.38
▸ SCN5A Q14524 2/20 0.37
▸ SERPINE1 P05121 1/20 0.37
▸ THRB P10828 1/20 0.36

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
SCHEMBL3474849 0.83 ALDH1A1 (0.55) CYP1A2NPSR1ALDH1A1CYP2C9HPGD
SCHEMBL3380038 0.81 SCN9A (0.38) NPC1RAB9ASMN1; SMN2TDP2CHEK2
SCHEMBL3431393 0.81 SERPINE1 (0.43) TDP2ADORA2AACP1PPARGSERPINE1
SCHEMBL3378022 0.81 HTT (0.53) NPSR1TDP2ACP1CHEK2PPARG
SCHEMBL3473462 0.80 SMN1; SMN2 (0.47) ALDH1A1HPGDSMN1; SMN2TDP2CHEK2
SCHEMBL3353025 0.79 PPARG (0.45) TDP2CHEK2PPARGSCN5ASERPINE1
SCHEMBL3378794 0.79 PYGM (0.49) SMN1; SMN2TDP2ACP1THRBBRD4
SCHEMBL3433542 0.79 PPARG (0.46) CYP1A2CYP2C19NPSR1ALDH1A1CYP2C9
SCHEMBL3346365 0.79 TDP2 (0.43) SMN1; SMN2TDP2CHEK2PPARGSCN5A
SCHEMBL3378965 0.79 SCN5A (0.44) ALDH1A1HPGDSMN1; SMN2TDP2PPARG

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 CYP1A2 973/4885CYP2C19 920/4885NPSR1 470/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 CYP1A2 973/4885CYP2C19 920/4885NPSR1 470/4885

“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.