SCHEMBL20114536

SCHEMBL20114536

N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 12/20 0.39
ABCB1 P08183 4/20 0.39
MAT2A P31153 1/20 0.37
ABCC1 P33527 1/20 0.35
KIF11 P52732 1/20 0.35
DGAT1 O75907 1/20 0.35
SOAT1 P35610 1/20 0.35
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35

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
SCHEMBL20114535 0.97 ABCG2 (0.37) ABCG2ABCB1MAT2AABCC1KIF11
SCHEMBL22243169 0.94 ABCG2 (0.37) ABCG2ABCB1MAT2AABCC1KIF11
SCHEMBL26708191 0.93 MEN1 (0.36) ABCG2ABCB1MAT2AKIF11DGAT1
SCHEMBL22268417 0.93 ABCG2 (0.39) ABCG2ABCB1MAT2AKIF11DGAT1
SCHEMBL22243183 0.92 ABCG2 (0.36) ABCG2ABCB1MAT2AABCC1KIF11
SCHEMBL21741938 0.92 MAT2A (0.38) ABCG2ABCB1MAT2AKIF11DGAT1
SCHEMBL20114991 0.92 ABCG2 (0.39) ABCG2ABCB1MAT2AABCC1KIF11
SCHEMBL21089843 0.92 ABCG2 (0.39) ABCG2ABCB1MAT2AABCC1KIF11
SCHEMBL20156112 0.91 S1PR1 (0.34) ABCG2ABCB1MAT2AKIF11DGAT1
SCHEMBL22243174 0.91 CYP1A2 (0.36) ABCG2ABCB1MAT2AKIF11DGAT1

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-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-09-24 US disclosed
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 US disclosed
EP-3315581-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-02 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-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, EPCAM, F12 ABCG2 2585/4885ABCB1 1061/4885MAT2A 2283/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 ABCG2 2585/4885ABCB1 1061/4885MAT2A 2283/4885

“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.