SCHEMBL16652174

SCHEMBL16652174

Brc1ccc(-c2cccc3c2ncn3-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.52
FGFR1 P11362 6/20 0.48
SRC P12931 3/20 0.48
HTT P42858 1/20 0.47
CYP17A1 P05093 1/20 0.44
EGLN1 Q9GZT9 3/20 0.42
GRM1 Q13255 1/20 0.42
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
KDR P35968 1/20 0.38

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
SCHEMBL25478930 0.89 HTT (0.55) NR1H4FGFR1SRCHTTCYP17A1
SCHEMBL30083768 0.85 MEN1 (0.47) NR1H4FGFR1SRCHTTCYP17A1
SCHEMBL25478938 0.85 MEN1 (0.47) NR1H4FGFR1SRCHTTCYP17A1
SCHEMBL715061 0.81 FGFR1 (0.50) NR1H4FGFR1SRCHTTCYP17A1
SCHEMBL31221221 0.81 NR1H4 (0.50) NR1H4FGFR1SRCHTTCYP17A1
SCHEMBL27950708 0.76 NR1H4 (0.45) NR1H4FGFR1SRCHTTCYP17A1
SCHEMBL8343144 0.76 CYP17A1 (0.58) NR1H4FGFR1SRCCYP17A1CDK2
SCHEMBL7605205 0.76 EGLN1 (0.46) NR1H4FGFR1SRCHTTCYP17A1
SCHEMBL18424880 0.74 NR1H4 (0.35) NR1H4FGFR1SRCHTTCYP17A1
Bromobenzene SCHEMBL28699914 0.72 HTT (0.82) FGFR1HTT

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-20180079763-A1 TRIPHENYLPHOSPHINE OXIDE DERIVATIVE AND ELECTROPHOSPHORESCENT LUMINESCENT DEVICE WUHAN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2018-03-22 US disclosed
US-9818952-B2 Condensed cyclic compound and organic light emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-11-14 US disclosed
US-20150108440-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-04-23 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-20180079763-A1 TRIPHENYLPHOSPHINE OXIDE DERIVATIVE AND ELECTROPHOSPHORESCENT LUMINESCENT DEVICE SLC6A12, SLC35B2, NUDT1 NR1H4 4200/4885FGFR1 4868/4885SRC 1855/4885

“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.