SCHEMBL19912536

SCHEMBL19912536

Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cc(C)cc(C(F)(F)F)c3)cc(-n3c4ccccc4c4cc(-c5cccc(C)c5)ccc43)c2C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.41
ICMT O60725 2/20 0.35
PTPN5 P54829 1/20 0.35
MAT2A P31153 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
KIF11 P52732 1/20 0.32
KDM4A O75164 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA4 P48058 1/20 0.32
POLB P06746 1/20 0.32
PDE9A O76083 1/20 0.32
PDE1C Q14123 1/20 0.32
ENPP1 P22413 1/20 0.32
SERPINE1 P05121 1/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 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
SCHEMBL19903653 0.97 AR (0.42) ARICMTPTPN5MAT2AADORA2A
SCHEMBL19912555 0.96 AR (0.34) ARICMTKIF11POLBPDE9A
SCHEMBL19912534 0.96 AR (0.44) ARICMTPTPN5MAT2AADORA2A
SCHEMBL19912379 0.95 AR (0.35) ARICMTADORA1KIF11PDE9A
SCHEMBL19912546 0.95 AR (0.34) ARICMTKIF11POLBPDE9A
SCHEMBL20617090 0.94 AR (0.40) ARICMTPTPN5MAT2AADORA2A
SCHEMBL19912533 0.94 AR (0.41) ARICMTPTPN5MAT2AADORA2A
SCHEMBL19912532 0.93 AR (0.37) ARICMTPTPN5ADORA1KIF11
SCHEMBL19917819 0.93 AR (0.34) ARICMTKIF11POLBPDE9A
SCHEMBL19912389 0.92 KDM4E (0.36) ARICMTMAT2AKIF11POLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 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-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 AR 4212/4885ICMT 127/4885PTPN5 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.