SCHEMBL19912518

SCHEMBL19912518

Cc1cc(-c2c(-n3c4ccccc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)cc(C#N)cc2-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)cc(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2C19 P33261 2/20 0.34
KMT2A Q03164 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
CYP2D6 P10635 2/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.34
CYP2C9 P11712 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAT2A P31153 2/20 0.34
PTGER4 P35408 1/20 0.33
RXRA P19793 1/20 0.33
RXRG P48443 1/20 0.33
GRM5 P41594 1/20 0.32
TACR1 P25103 2/20 0.31
ABCG2 Q9UNQ0 3/20 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
SCHEMBL19912519 0.95 CYP1A2 (0.34) CYP1A2CYP3A4MEN1ALDH1A1CYP2C19
SCHEMBL22822255 0.94 RXRA (0.38) CYP1A2CYP3A4MEN1ALDH1A1CYP2C19
SCHEMBL19918018 0.94 RXRA (0.35) CYP1A2CYP3A4MEN1ALDH1A1CYP2C19
SCHEMBL19912516 0.93 PTGER4 (0.35) CYP1A2CYP3A4MEN1ALDH1A1CYP2C19
SCHEMBL19912517 0.92 RXRA (0.34) CYP1A2CYP3A4MEN1ALDH1A1CYP2C19
SCHEMBL19912476 0.92 RXRA (0.38) MAT2APTGER4RXRARXRGTACR1
SCHEMBL19918020 0.91 RXRA (0.37) CYP1A2CYP3A4MEN1ALDH1A1CYP2C19
SCHEMBL22822249 0.91 RXRA (0.39) CYP1A2CYP3A4MEN1ALDH1A1CYP2C19
SCHEMBL19912498 0.90 RXRA (0.36) MAT2APTGER4RXRARXRGGRM5
SCHEMBL19913290 0.90 KDM4E (0.34) MEN1ALDH1A1KMT2AMAT2APTGER4

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 CYP1A2 957/4885CYP3A4 985/4885MEN1 3071/4885

“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.