SCHEMBL19903633

SCHEMBL19903633

Cc1cccc(-c2ccc3c4ccccc4n(-c4cc(C#N)c(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4-n4c5ccccc5c5ccc(-c6cccc(C)c6)cc54)c3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.45
XDH P47989 1/20 0.35
PTPN5 P54829 1/20 0.34
KIF11 P52732 1/20 0.33
ENPP1 P22413 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
PDK2 Q15119 1/20 0.32
PGR P06401 1/20 0.32
IMPDH2 P12268 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
ERBB2 P04626 1/20 0.31

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
SCHEMBL22822320 0.95 AR (0.43) ARXDHPTPN5KIF11ENPP1
SCHEMBL19903635 0.94 AR (0.45) ARXDHPTPN5ENPP1PDK2
SCHEMBL19917957 0.93 AR (0.36) ARXDHKIF11PGR
SCHEMBL19912572 0.92 AR (0.38) ARXDHKIF11GRIN1GRIN2B
SCHEMBL19918025 0.92 AR (0.41) ARXDHPTPN5KIF11KDM4E
SCHEMBL19912427 0.91 AR (0.44) ARXDHPTPN5KIF11ENPP1
SCHEMBL22822436 0.91 AR (0.46) ARXDHPTPN5GRIN1GRIN2B
SCHEMBL21440724 0.91 AR (0.47) ARXDHPTPN5ENPP1GRIN1
SCHEMBL19917995 0.91 KIF11 (0.36) ARXDHKIF11PGRIMPDH2
SCHEMBL19903547 0.91 XDH (0.34) ARXDHKIF11GRIN1GRIN2B

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-10439151-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-10-08 US disclosed
EP-3360945-B1 ORGANIC ELECTROLUMINESCENT DEVICE CYNORA GMBH (DE) 2019-04-24 EP disclosed
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed
EP-3287450-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-28 EP 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-10439151-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, ORC3, AOC3 AR 4190/4885XDH 91/4885PTPN5 3579/4885
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 AR 4212/4885XDH 68/4885PTPN5 3658/4885

“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.