SCHEMBL19202918

SCHEMBL19202918

c1cc(-c2ccncc2)cc(-c2ccc3cc(-c4cc5c6c(cccc6c4)-c4ccccc4-5)ccc3c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
CYP17A1 P05093 1/20 0.44
CYP19A1 P11511 1/20 0.44
MAPK9 P45984 4/20 0.43
MAPK10 P53779 4/20 0.43
MAPK8 P45983 3/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 2/20 0.41
TP53 P04637 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HIF1A Q16665 1/20 0.41
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NOTUM Q6P988 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
SCHEMBL19202832 0.97 ALDH1A1 (0.42) CYP11B1CYP11B2CYP17A1CYP19A1MAPK9
SCHEMBL19202754 0.97 ALDH1A1 (0.42) CYP11B1CYP11B2CYP17A1CYP19A1MAPK9
SCHEMBL19202920 0.97 MAPK9 (0.45) CYP11B1CYP11B2CYP17A1CYP19A1MAPK9
SCHEMBL19202915 0.97 MAPK9 (0.45) CYP11B1CYP11B2CYP17A1CYP19A1MAPK9
SCHEMBL19202751 0.95 ALDH1A1 (0.44) ALDH1A1TSHRMAPK1HSD17B10HPGD
SCHEMBL19202764 0.95 ALDH1A1 (0.44) ALDH1A1TSHRMAPK1HSD17B10HPGD
SCHEMBL19202839 0.92 ALDH1A1 (0.47) MAPK9MAPK10MAPK8ALDH1A1TSHR
SCHEMBL19202831 0.92 ALDH1A1 (0.47) MAPK9MAPK10MAPK8ALDH1A1TSHR
SCHEMBL19202940 0.91 MAPK9 (0.46) CYP11B1CYP11B2CYP17A1CYP19A1MAPK9
SCHEMBL19202975 0.91 ALDH1A1 (0.48) MAPK9MAPK10MAPK8ALDH1A1TSHR

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-3312159-B1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO (JP) 2022-01-26 EP disclosed
US-10790449-B2 Compound, material for organic electroluminescence element, organic electroluminescence element, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2020-09-29 US disclosed
EP-3312159-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE Idemitsu Kosan Co., Ltd (JP) 2018-04-25 EP disclosed
US-20170222152-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-08-03 US disclosed
US-20170222152-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-08-03 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 (2 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-10790449-B2 Compound, material for organic electroluminescence element, organic electroluminescence element, and electronic device RPL19, LEF1, RPL39 CYP11B1 3082/4885CYP11B2 3179/4885CYP17A1 3064/4885
US-20170222152-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE RPL19, LEF1, RPL39 CYP11B1 3082/4885CYP11B2 3179/4885CYP17A1 3064/4885

“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.