SCHEMBL19238256

SCHEMBL19238256

c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7c(cccc57)-c5ccncc5-6)ccc43)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TSPO P30536 2/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.32
▸ NPY5R Q15761 1/20 0.32
▸ TNF P01375 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ALK Q9UM73 2/20 0.30
▸ DYRK1A Q13627 1/20 0.30

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
SCHEMBL19238240 1.00 CYP17A1 (0.34) CYP17A1CYP1A2KDM4EATML3MBTL1
SCHEMBL19238242 0.95 KDM4E (0.38) CYP17A1CYP1A2KDM4EATML3MBTL1
SCHEMBL19238251 0.95 KDM4E (0.38) CYP17A1CYP1A2KDM4EATML3MBTL1
SCHEMBL19238253 0.95 PIK3CA (0.36) CYP17A1CYP1A2ATML3MBTL1TSPO
SCHEMBL19238239 0.95 PIK3CA (0.36) CYP17A1CYP1A2ATML3MBTL1TSPO
SCHEMBL19238258 0.92 KDM4E (0.36) CYP17A1CYP1A2KDM4EATML3MBTL1
SCHEMBL19238245 0.92 KDM4E (0.36) CYP17A1CYP1A2KDM4EATML3MBTL1
SCHEMBL19238244 0.92 KDM4E (0.36) CYP17A1CYP1A2KDM4EATML3MBTL1
SCHEMBL19238260 0.92 KDM4E (0.36) CYP17A1CYP1A2KDM4EATML3MBTL1
SCHEMBL19243413 0.92 KDM4E (0.32) CYP17A1CYP1A2KDM4EATML3MBTL1

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-10629821-B2 Compound, material for organic electroluminescent elements using same, and organic electroluminescent element and electronic device each using same IDEMITSU KOSAN CO., LTD. (JP) 2020-04-21 — — US disclosed
US-20170237016-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE EACH USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2017-08-17 — — US disclosed
US-20170237016-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE EACH USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2017-08-17 — — 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-20170237016-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE EACH USING SAME OR10J3, LEF1, PIEZO1 CYP17A1 3154/4885CYP1A2 2636/4885KDM4E 536/4885
US-10629821-B2 Compound, material for organic electroluminescent elements using same, and organic electroluminescent element and electronic device each using same OR10J3, LEF1, PIEZO1 CYP17A1 3154/4885CYP1A2 2636/4885KDM4E 536/4885

“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.

Send feedback