Sugi Predict

Sugi Predict / Compounds / SCHEMBL1162286

SCHEMBL1162286

SCHEMBL1162286

COc1cc(OC)cc(-c2c(C)nnc(C)c2-c2c(F)cc(F)cc2F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 6/20 0.37
▸ CYP1A1 P04798 5/20 0.37
▸ CYP1A2 P05177 3/20 0.36
▸ GRM8 O00222 1/20 0.36
▸ GRM7 Q14831 1/20 0.36
▸ PDE2A O00408 2/20 0.36
▸ PDE10A Q9Y233 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP2E1 P05181 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C8 P10632 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ CYP2A6 P11509 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP4B1 P13584 2/20 0.34
▸ CYP2B6 P20813 2/20 0.34
▸ CYP3A5 P20815 2/20 0.34
▸ CYP2A7 P20853 2/20 0.34
▸ CYP3A7 P24462 2/20 0.34
▸ CYP2F1 P24903 2/20 0.34

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
SCHEMBL1162395 0.93 CYP1A2 (0.41) CYP1B1CYP1A1CYP1A2GRM8GRM7
SCHEMBL1162305 0.91 CYP1A2 (0.34) CYP1B1CYP1A1CYP1A2GRM8GRM7
SCHEMBL1162406 0.90 CYP1A2 (0.33) CYP1B1CYP1A1CYP1A2GRM8GRM7
SCHEMBL1162377 0.87 CYP1A2 (0.34) CYP1B1CYP1A1CYP1A2GRM8GRM7
SCHEMBL8513893 0.85 CTSA (0.35) PDE2APDE10ACTSATP53
SCHEMBL1938749 0.85 ADORA2A (0.46) CYP1B1CYP1A1CYP1A2PDE2APDE10A
SCHEMBL1162374 0.83 CYP1A2 (0.37) CYP1B1CYP1A1CYP1A2GRM8GRM7
SCHEMBL1937723 0.83 ABL1 (0.38) CYP1B1CYP1A1PDE2APDE10AABL1
SCHEMBL1162843 0.83 PDE2A (0.38) CYP1B1CYP1A1CYP1A2PDE2APDE10A
SCHEMBL17514802 0.82 ALDH1A1 (0.48) CYP1B1CYP1A1CYP1A2ALDH1A1CYP2E1

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
EP-2462120-A1 FUNGICIDAL DIPHENYL-SUBSTITUTED PYRIDAZINES E. I. du Pont de Nemours and Company (US) 2012-06-13 — — EP claimed
US-20120135995-A1 FUNGICIDAL DIPHENYL-SUBSTITUTED PYRIDAZINES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2012-05-31 — — US claimed
WO-2011017261-A1 FUNGICIDAL DIPHENYL-SUBSTITUTED PYRIDAZINES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-02-10 — — WO claimed
EP-2462120-A1 FUNGICIDAL DIPHENYL-SUBSTITUTED PYRIDAZINES E. I. du Pont de Nemours and Company (US) 2012-06-13 — — EP disclosed
US-20120135995-A1 FUNGICIDAL DIPHENYL-SUBSTITUTED PYRIDAZINES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2012-05-31 — — US disclosed
WO-2011017261-A1 FUNGICIDAL DIPHENYL-SUBSTITUTED PYRIDAZINES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-02-10 — — 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-20120135995-A1 FUNGICIDAL DIPHENYL-SUBSTITUTED PYRIDAZINES PNPO, CYP1B1, PRXL2A CYP1B1 2/4885CYP1A1 8/4885CYP1A2 21/4885

“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.