SCHEMBL20114666

SCHEMBL20114666

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 8/20 0.39
KIF11 P52732 1/20 0.36
DHODH Q02127 1/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
CNR2 P34972 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RORC P51449 1/20 0.33
DPP4 P27487 1/20 0.33
KDM1A O60341 1/20 0.33

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
SCHEMBL20156188 0.97 ABCG2 (0.41) ABCG2KIF11DHODHCTSSCTSK
SCHEMBL20114993 0.91 ABCG2 (0.35) ABCG2CTSSCTSK
SCHEMBL20114994 0.91 AR (0.39) ABCG2CNR2ALDH1A1MAPTSMN1; SMN2
SCHEMBL20114511 0.91 ABCG2 (0.38) ABCG2ALDH1A1SMN1; SMN2
SCHEMBL19943182 0.90 ABCG2 (0.38) ABCG2KIF11DHODHCTSSCNR2
SCHEMBL21116263 0.89 KIF11 (0.42) KIF11TAS2R14RORC
SCHEMBL19953866 0.89 ALDH1A1 (0.37) ABCG2ALDH1A1MAPTSMN1; SMN2
SCHEMBL20793935 0.89 ABCG2 (0.35) ABCG2KIF11ALDH1A1MAPTSMN1; SMN2
SCHEMBL25659756 0.88 ALOX5AP (0.37) ABCG2KIF11CTSSCTSKCNR2
SCHEMBL20114647 0.88 ALDH1A1 (0.40) ABCG2ALDH1A1MAPTSMN1; SMN2TDP1

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 5 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
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 2585/4885KIF11 2577/4885DHODH 2975/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 ABCG2 2585/4885KIF11 2577/4885DHODH 2975/4885

“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.