SCHEMBL10035319

SCHEMBL10035319

c1ccc(-c2ccc(-c3nnc(-c4ccccc4)n3-c3ccc(-c4cccnc4)cc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.56
CYP3A4 P08684 2/20 0.54
CYP17A1 P05093 1/20 0.54
CYP19A1 P11511 1/20 0.54
CYP11B1 P15538 1/20 0.54
CYP11B2 P19099 1/20 0.54
ALDH1A1 P00352 5/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2A6 P11509 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
OXTR P30559 1/20 0.50
KMT2A Q03164 2/20 0.49
GLA P06280 1/20 0.49
MEN1 O00255 1/20 0.49
MKNK1 Q9BUB5 2/20 0.49
MKNK2 Q9HBH9 2/20 0.49
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
APP P05067 1/20 0.47
KDM4E B2RXH2 2/20 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
SCHEMBL398821 1.00 AVPR1A (0.56) AVPR1ACYP3A4CYP17A1CYP19A1CYP11B1
SCHEMBL10035330 1.00 AVPR1A (0.56) AVPR1ACYP3A4CYP17A1CYP19A1CYP11B1
SCHEMBL17223083 0.97 CYP2A6 (0.54) AVPR1ACYP3A4CYP17A1CYP19A1CYP11B1
SCHEMBL10035360 0.94 AVPR1A (0.54) AVPR1ACYP3A4CYP17A1CYP19A1CYP11B1
SCHEMBL10035317 0.94 AVPR1A (0.54) AVPR1ACYP3A4CYP17A1CYP19A1CYP11B1
SCHEMBL12103643 0.91 AVPR1A (0.50) AVPR1ACYP3A4CYP17A1CYP19A1CYP11B1
SCHEMBL17231888 0.90 CYP11B2 (0.52) AVPR1ACYP3A4CYP17A1CYP19A1CYP11B1
SCHEMBL10035331 0.90 KDM4E (0.55) AVPR1ACYP3A4CYP17A1CYP19A1CYP11B1
SCHEMBL10035350 0.89 OXTR (0.69) AVPR1ACYP3A4CYP17A1CYP19A1CYP11B1
SCHEMBL10035349 0.89 KIF11 (0.66) AVPR1ACYP3A4CYP17A1CYP19A1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101771-B2 Triazole derivative, and light-emitting element, light-emitting device, and electronic device using triazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-01-24 US disclosed
US-8101771-B2 Triazole derivative, and light-emitting element, light-emitting device, and electronic device using triazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-01-24 US disclosed
US-20100079066-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Triazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-04-01 US disclosed
US-20100079066-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Triazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-04-01 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-20100079066-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Triazole Derivative TTI1, TTI2, NLRP3 AVPR1A 3449/4885CYP3A4 22/4885CYP17A1 2231/4885

“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.