SCHEMBL20114993

SCHEMBL20114993

N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-n1c2ccccc2c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
ICMT O60725 2/20 0.34
CTSS P25774 2/20 0.33
CTSK P43235 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
TACR1 P25103 1/20 0.32
AR P10275 2/20 0.32
MGLL Q99685 1/20 0.32

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
SCHEMBL20150312 0.94 AR (0.38) ABCG2CYP11B1CYP11B2CTSSCTSK
SCHEMBL21109743 0.91 ABCG2 (0.34) ABCG2CYP11B1CYP11B2ICMTCTSS
SCHEMBL20114666 0.91 ABCG2 (0.39) ABCG2CTSSCTSK
SCHEMBL21116871 0.91 CYP11B1 (0.38) CYP11B1CYP11B2ICMTAR
SCHEMBL19903597 0.90 ABCG2 (0.33) ABCG2CYP11B1CYP11B2CTSSCTSK
SCHEMBL19903691 0.90 CTSS (0.36) ABCG2ICMTCTSSCTSKMGLL
SCHEMBL22243086 0.89 ALDH1A1 (0.32) ABCG2CYP11B1CYP11B2ICMTSLC22A12
SCHEMBL20848590 0.89 ALDH1A1 (0.32) ABCG2CYP11B1CYP11B2ICMTSLC22A12
SCHEMBL21108025 0.89 XDH (0.34) ABCG2CYP11B1CYP11B2ICMTCTSS
SCHEMBL21108761 0.89 ICMT (0.34) ABCG2ICMTCTSSCTSKTACR1

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-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-09-24 US disclosed
EP-3315581-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-01-02 EP 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 2585/4885CYP11B1 1765/4885CYP11B2 1259/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 ABCG2 2585/4885CYP11B1 1765/4885CYP11B2 1259/4885

“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.