SCHEMBL21364262

SCHEMBL21364262

N#Cc1cccc(-c2ccc(-n3c4ccc(C(F)(F)F)cc4c4cc(C(F)(F)F)ccc43)c(-c3ccc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
MAT2A P31153 1/20 0.39
CYP1A2 P05177 5/20 0.38
CYP3A4 P08684 4/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 3/20 0.38
TSHR P16473 3/20 0.38
CYP2D6 P10635 3/20 0.38
CYP2C19 P33261 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP2C9 P11712 1/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
ENPP1 P22413 1/20 0.37
TRPA1 O75762 1/20 0.36
ALDH1A3 P47895 1/20 0.36

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
SCHEMBL21364260 0.97 CYP1A2 (0.38) PTPN5PTGDR2MAT2ACYP1A2CYP3A4
SCHEMBL21364679 0.96 CYP1A2 (0.41) PTPN5PTGDR2MAT2ACYP1A2CYP3A4
SCHEMBL27022411 0.94 PTPN5 (0.42) PTPN5PTGDR2MAT2ACYP1A2CYP3A4
SCHEMBL21090910 0.94 PTPN5 (0.41) PTPN5PTGDR2MAT2ACYP1A2CYP3A4
SCHEMBL27022396 0.94 PTGDR2 (0.40) PTPN5PTGDR2MAT2ACYP1A2CYP3A4
SCHEMBL21364680 0.94 CYP1A2 (0.41) PTPN5PTGDR2MAT2ACYP1A2CYP3A4
SCHEMBL21364355 0.93 KIF11 (0.40) PTPN5PTGDR2LMNAPDK2ABCG2
SCHEMBL21365035 0.93 CYP1A2 (0.42) PTPN5PTGDR2MAT2ACYP1A2CYP3A4
SCHEMBL27022426 0.92 PTPN5 (0.40) PTPN5PTGDR2MAT2ACYP1A2CYP3A4
SCHEMBL27022397 0.92 PTPN5 (0.40) PTPN5PTGDR2MAT2ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11161836-B2 Organic molecules for optoelectronic devices CYNORA GMBH (DE) 2021-11-02 US disclosed
US-20190284174-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-19 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-20190284174-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES OR10J3, OR51E2, OCIAD2 PTPN5 4681/4885PTGDR2 310/4885MAT2A 2043/4885
US-11161836-B2 Organic molecules for optoelectronic devices OR10J3, OR51E2, OCIAD2 PTPN5 4681/4885PTGDR2 310/4885MAT2A 2043/4885

“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.