SCHEMBL10035336

SCHEMBL10035336

CCCc1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccc(-c3cccnc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.49
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
AVPR1A P37288 1/20 0.47
KDR P35968 1/20 0.45
TEK Q02763 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP3A4 P08684 2/20 0.45
CYP19A1 P11511 2/20 0.45
CYP17A1 P05093 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
CYP2A6 P11509 1/20 0.44
UCHL3 P15374 1/20 0.44
OXTR P30559 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL10035323 1.00 HSD11B1 (0.49) HSD11B1MKNK1MKNK2HPGDSMN1; SMN2
SCHEMBL10035356 0.97 MKNK1 (0.50) HSD11B1MKNK1MKNK2HPGDSMN1; SMN2
SCHEMBL10035324 0.93 HSD11B1 (0.60) HSD11B1MKNK1MKNK2HPGDSMN1; SMN2
SCHEMBL10035337 0.93 HSD11B1 (0.60) HSD11B1MKNK1MKNK2HPGDSMN1; SMN2
SCHEMBL10035345 0.90 HSD11B1 (0.56) HSD11B1MKNK1MKNK2KDRCYP3A4
SCHEMBL10035348 0.90 MKNK1 (0.50) MKNK1MKNK2HPGDSMN1; SMN2AVPR1A
SCHEMBL10035320 0.90 MKNK1 (0.50) MKNK1MKNK2HPGDSMN1; SMN2AVPR1A
SCHEMBL10035328 0.87 MKNK1 (0.53) MKNK1MKNK2HPGDSMN1; SMN2AVPR1A
SCHEMBL398821 0.87 AVPR1A (0.56) MKNK1MKNK2HPGDSMN1; SMN2AVPR1A
SCHEMBL10035330 0.87 AVPR1A (0.56) MKNK1MKNK2HPGDSMN1; SMN2AVPR1A

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 HSD11B1 1244/4885MKNK1 2056/4885MKNK2 1522/4885

“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.