Sugi Predict

Sugi Predict / Compounds / SCHEMBL3066089

SCHEMBL3066089

SCHEMBL3066089

OC(c1cccnc1)(c1cccc(Cl)c1F)c1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 8/20 0.47
▸ CYP3A5 P20815 7/20 0.47
▸ CYP19A1 P11511 9/20 0.41
▸ KCNN4 O15554 2/20 0.39
▸ KCNA3 P22001 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ SLC22A1 O15245 1/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ GMNN O75496 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ TRPM2 O94759 1/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ NR3C1 P04150 1/20 0.39
▸ ERBB2 P04626 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP17A1 P05093 1/20 0.39
▸ CYP1A2 P05177 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
SCHEMBL13089077 0.90 CYP19A1 (0.39) CYP3A4CYP3A5CYP19A1KCNN4KCNA3
SCHEMBL3061633 0.85 RORC (0.39) CYP3A4CYP3A5CYP19A1KCNN4KCNA3
SCHEMBL11891099 0.81 KIF11 (0.38) CYP3A4CYP3A5CYP19A1KCNN4KCNA3
SCHEMBL1637263 0.81 CYP19A1 (0.39) CYP3A4CYP3A5CYP19A1KCNN4KCNA3
SCHEMBL3072544 0.81 RORC (0.39) CYP3A4CYP3A5CYP19A1KCNH2RORC
SCHEMBL11891095 0.73 CYP11B1 (0.40) CYP19A1KMT2ASMN1; SMN2RORCKCNA5
SCHEMBL1637070 0.72 CYP19A1 (0.40) CYP3A4CYP3A5CYP19A1KCNN4KCNA3
SCHEMBL1638486 0.71 CYP19A1 (0.37) CYP3A4CYP19A1KCNN4KCNA3MEN1
SCHEMBL27368720 0.71 CYP3A4 (0.86) CYP3A4CYP3A5CYP19A1CYP1A2CYP2C9
SCHEMBL13089076 0.68 KCNN4 (0.35) CYP3A4CYP19A1KCNN4KCNA3MEN1

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
EP-2155715-B1 ((PHENYL)IMIDAZOLYL)METHYLHETEROARYL COMPOUNDS ALLERGAN INC (US) 2013-03-13 — — EP disclosed
EP-2155715-B1 ((PHENYL)IMIDAZOLYL)METHYLHETEROARYL COMPOUNDS ALLERGAN INC (US) 2013-03-13 — — EP disclosed
US-20100273814-A1 ((PHENYL)IMIDAZOLYL)METHYLHETEROARYL COMPOUNDS SINHA SANTOSH C 2010-10-28 — — US disclosed
US-20100273814-A1 ((PHENYL)IMIDAZOLYL)METHYLHETEROARYL COMPOUNDS SINHA SANTOSH C 2010-10-28 — — US disclosed
US-20100273814-A1 ((PHENYL)IMIDAZOLYL)METHYLHETEROARYL COMPOUNDS SINHA SANTOSH C 2010-10-28 — — US disclosed
EP-2155715-A1 ((PHENYL)IMIDAZOLYL)METHYLHETEROARYL COMPOUNDS ALLERGAN, INC. (US) 2010-02-24 — — EP disclosed
WO-2008141312-A1 ((PHENYL)IMIDAZOLYL)METHYLHETEROARYL COMPOUNDS ALLERGAN, INC. (US) 2008-11-20 — — WO disclosed
WO-2008141312-A1 ((PHENYL)IMIDAZOLYL)METHYLHETEROARYL COMPOUNDS ALLERGAN, INC. (US) 2008-11-20 — — 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-20100273814-A1 ((PHENYL)IMIDAZOLYL)METHYLHETEROARYL COMPOUNDS CYP11B2, TPMT, COXFA4L2 CYP3A4 65/4885CYP3A5 221/4885CYP19A1 485/4885

“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.