Sugi Predict

Sugi Predict / Compounds / SCHEMBL3474070

SCHEMBL3474070

SCHEMBL3474070

Cn1c(=O)c(C(C)(C)C)nc2cc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 1/20 0.49
▸ GRIN1 Q05586 8/20 0.43
▸ GRIN2B Q13224 8/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ BRD9 Q9H8M2 1/20 0.42
▸ PGR P06401 2/20 0.41
▸ KIT P10721 1/20 0.41
▸ NR3C1 P04150 1/20 0.41
▸ SLC11A2 P49281 1/20 0.41
▸ GSR P00390 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL3433378 0.93 TGFBR1 (0.51) TGFBR1GRIN1GRIN2BMAPK14BRD9
SCHEMBL3473446 0.85 TGFBR1 (0.44) TGFBR1GRIN1GRIN2BMAPK14BRD9
SCHEMBL3476237 0.82 PIN1 (0.43) TGFBR1GRIN1GRIN2BKDM4ECYP2C9
SCHEMBL15147687 0.81 TGFBR1 (0.46) TGFBR1MAPK14NR3C1KDM4EALDH1A1
SCHEMBL3476567 0.79 GRIN1 (0.41) TGFBR1GRIN1GRIN2BKDM4ECYP2C9
SCHEMBL28712778 0.78 KIF11 (0.40) GSRCYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL3433129 0.78 SCD (0.47) TGFBR1GRIN1GRIN2BBRD9
Bromide SCHEMBL116435 0.78 TLR8 (0.46) TGFBR1GRIN1GRIN2BMAPK14PGR
SCHEMBL3376646 0.77 MAPK14 (0.46) GRIN1GRIN2BMAPK14KIT
SCHEMBL3475191 0.76 TGFBR1 (0.48) TGFBR1GRIN1GRIN2BBRD9KIT

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-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
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
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 TGFBR1 1618/4885GRIN1 1435/4885GRIN2B 2067/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 TGFBR1 1618/4885GRIN1 1435/4885GRIN2B 2067/4885

“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.