SCHEMBL4581716

SCHEMBL4581716

[CH2]c1cccc(-c2cncc(OC)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 12/20 0.57
CYP11B2 P19099 12/20 0.57
CYP1A2 P05177 5/20 0.57
CYP3A4 P08684 3/20 0.57
CYP2C9 P11712 3/20 0.57
CYP1A1 P04798 2/20 0.50
CYP1B1 Q16678 2/20 0.50
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
CYP2C19 P33261 2/20 0.47
CYP2E1 P05181 1/20 0.47
CYP2C8 P10632 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2A6 P11509 1/20 0.47
CYP4B1 P13584 1/20 0.47
CYP2B6 P20813 1/20 0.47
CYP3A5 P20815 1/20 0.47
CYP2A7 P20853 1/20 0.47
CYP3A7 P24462 1/20 0.47
CYP2F1 P24903 1/20 0.47

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
SCHEMBL4475475 0.82 CYP3A4 (0.57) CYP1A2CYP3A4CYP2C9CYP1A1CYP1B1
SCHEMBL4581721 0.81 CYP11B1 (0.58) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL12108683 0.80 CYP11B1 (0.65) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL12302844 0.80 CYP11B1 (0.65) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL20470430 0.80 CYP11B2 (0.57) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL981006 0.80 CYP11B1 (0.57) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL29431754 0.80 CYP11B1 (0.57) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL5702666 0.80 CYP1A1 (0.74) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL15394522 0.78 KIF11 (0.54) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL15340942 0.78 CYP11B2 (0.54) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663204-B1 C-KIT MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2014-05-07 EP claimed
EP-2139483-B9 COMBINATION THERAPIES COMPRISING A QUINOXALINE INHIBITOR OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS INC (US) 2014-05-21 EP disclosed
EP-1663204-B1 C-KIT MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2014-05-07 EP disclosed
US-8362017-B2 N-[5-chloro-2-(methyloxy)phenyl]-2-{[3-(1H-tetrazol-1-yl)phenyl]oxy}acetamide; antiproliferative agents; protein kinase inhibitors; drug screening EXELIXIS, INC. (US) 2013-01-29 US disclosed
US-20080096892-A1 C-Kit Modulators And Methods Of Use EXELIXIS, INC. (US) 2008-04-24 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 (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-20080096892-A1 C-Kit Modulators And Methods Of Use KIT, PRKCH, PRKCB CYP11B1 4619/4885CYP11B2 4742/4885CYP1A2 4816/4885

“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.