SCHEMBL3168682

SCHEMBL3168682

c1cncc(COn2ccnc2)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.54
CYP19A1 P11511 1/20 0.46
CYP11B2 P19099 1/20 0.46
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 1/20 0.44
IDO1 P14902 1/20 0.43
CYP2A6 P11509 1/20 0.42
CYP1A2 P05177 1/20 0.42
CHRNB2 P17787 3/20 0.41
CHRNA4 P43681 3/20 0.41
CHRNA7 P36544 1/20 0.41
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40

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
SCHEMBL99122 0.84 CYP11B1 (0.50) CYP11B1CYP19A1CYP11B2CYP3A4CYP2D6
Biphenyl SCHEMBL8917652 0.80 CYP11B1 (0.49) CYP11B1CYP19A1CYP11B2CYP3A4CYP2D6
SCHEMBL3179446 0.74 CYP11B1 (0.38) CYP11B1CYP19A1CYP11B2CYP2D6CYP2A6
SCHEMBL493020 0.72 CYP1A2 (0.56) CYP2D6CYP2A6CYP1A2CHRNB2CHRNA4
SCHEMBL7546085 0.71 CHRNB2 (0.57) CYP2D6CYP1A2CHRNB2CHRNA4CHRNA7
SCHEMBL11013739 0.71 TDP1 (0.47) CYP11B1CYP19A1CYP11B2CYP3A4CYP2D6
SCHEMBL12682673 0.71 IDO1 (0.46) CYP11B1CYP19A1CYP11B2CYP2D6IDO1
SCHEMBL1622205 0.71 CYP11B1 (0.50) CYP11B1CYP19A1CYP11B2CYP3A4CYP2D6
SCHEMBL570582 0.70 CYP11B1 (1.00) CYP11B1CYP19A1CYP11B2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL27794086 0.70 CYP1A2 (0.54) CYP2D6CYP2A6CYP1A2CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100010049-A1 Novel Tyrosinase inhibitors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-01-14 US disclosed
EP-2041095-A1 NOVEL TYROSINASE INHIBITORS, THEIR PROCESS OF PREPARATION AND THEIR USE IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2009-04-01 EP disclosed
WO-2008006824-A1 NOVEL TYROSINASE INHIBITORS, THEIR PROCESS OF PREPARATION AND THEIR USE IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-17 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-20100010049-A1 Novel Tyrosinase inhibitors and pharmaceutical/cosmetic applications thereof TYR, MITF, MAOA CYP11B1 759/4885CYP19A1 46/4885CYP11B2 795/4885

“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.