SCHEMBL16685448

SCHEMBL16685448

N#Cc1ccc(-c2c(F)c(-c3ccc(C#N)cc3)c(C#N)c(-c3ccc(C#N)cc3)c2F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.44
MMP3 P08254 1/20 0.43
AR P10275 2/20 0.41
LOXL2 Q9Y4K0 1/20 0.39
PTGS1 P23219 1/20 0.39
CA12 O43570 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2A6 P11509 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA1 P00915 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA4 P48058 1/20 0.37
CYP11B2 P19099 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL17711173 0.88 KIF11 (0.44) KIF11MMP3ARPTGS1CA12
SCHEMBL21077232 0.87 KIF11 (0.47) KIF11MMP3LOXL2PTGS1CA12
SCHEMBL4147130 0.85 KIF11 (0.48) KIF11MMP3LOXL2PTGS1CA12
SCHEMBL21913682 0.81 ALDH1A1 (0.47) ALDH1A1KDM4E
SCHEMBL21950250 0.79 AR (0.41) KIF11MMP3ARPTGS1CA12
SCHEMBL21950276 0.79 AR (0.41) KIF11MMP3ARPTGS1CA12
SCHEMBL22148713 0.78 NOTUM (0.43) KIF11MMP3PTGS1CA12CA2
SCHEMBL14555704 0.77 AR (0.47) KIF11MMP3ARLOXL2PTGS1
SCHEMBL3509636 0.77 MMP3 (0.59) KIF11MMP3LOXL2CA12CA2
SCHEMBL19579181 0.76 KIF11 (0.48) KIF11MMP3ARPTGS1CA12

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-20160301015-A1 LIGHT-EMITTING COMPOUNDS FOR LIGHT-EMITTING DEVICES NITTO DENKO CORPORATION (JP) 2016-10-13 US disclosed
US-20160301015-A1 LIGHT-EMITTING COMPOUNDS FOR LIGHT-EMITTING DEVICES NITTO DENKO CORPORATION (JP) 2016-10-13 US disclosed
WO-2015066354-A1 LIGHT-EMITTING COMPOUNDS FOR LIGHT-EMITTING DEVICES NITTO DENKO CORPORATION (JP) 2015-05-07 WO disclosed
WO-2015066354-A1 LIGHT-EMITTING COMPOUNDS FOR LIGHT-EMITTING DEVICES NITTO DENKO CORPORATION (JP) 2015-05-07 WO 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-20160301015-A1 LIGHT-EMITTING COMPOUNDS FOR LIGHT-EMITTING DEVICES CRY1, ALDH1A2, CRY2 KIF11 3951/4885MMP3 3791/4885AR 3815/4885

“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.