SCHEMBL4595436

SCHEMBL4595436

Nc1ccnc(-n2ccnc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.63
LMNA P02545 6/20 0.52
MAPT P10636 3/20 0.52
CYP3A4 P08684 10/20 0.44
CYP1A2 P05177 9/20 0.44
CYP2D6 P10635 9/20 0.44
CYP2C19 P33261 8/20 0.44
HSD17B10 Q99714 6/20 0.44
ALOX15 P16050 5/20 0.44
CLK4 Q9HAZ1 4/20 0.44
TSHR P16473 2/20 0.44
IDO1 P14902 1/20 0.44
TDP1 Q9NUW8 5/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
ALDH1A1 P00352 6/20 0.42
HPGD P15428 2/20 0.42
CASP7 P55210 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL31506438 0.79 LOXL2 (0.60) LOXL2LMNAMAPTCYP3A4CYP1A2
SCHEMBL14909322 0.79 GRIN2D (0.46) LOXL2LMNAMAPTCYP3A4HSD17B10
SCHEMBL23354608 0.79 LMNA (0.52) LOXL2LMNAMAPTCYP3A4CYP1A2
SCHEMBL12755537 0.78 LOXL2 (0.58) LOXL2LMNAMAPTCYP3A4CYP1A2
SCHEMBL30900620 0.78 LOXL2 (0.58) LOXL2LMNAMAPTCYP3A4CYP1A2
SCHEMBL22437082 0.78 LOXL2 (0.58) LOXL2LMNAMAPTCYP3A4CYP1A2
SCHEMBL4395061 0.77 CYP1A2 (0.59) LOXL2LMNACYP3A4CYP1A2CYP2D6
SCHEMBL18049309 0.77 LOXL2 (1.00) LOXL2LMNAMAPTCYP3A4CYP1A2
SCHEMBL30399969 0.77 LOXL2 (1.00) LOXL2LMNAMAPTCYP3A4CYP1A2
SCHEMBL4878557 0.74 LMNA (0.56) LOXL2LMNAMAPTCYP3A4CYP1A2

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
EP-1122242-B1 CYANOPHENYL DERIVATIVES ASTELLAS PHARMA INC (JP) 2008-01-16 EP disclosed
US-20040010037-A1 Cyanophenyl derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. 2004-01-15 US disclosed
US-6673799-B1 INHIBITS BINDING TO ANDROGEN RECEPTOR; ANTIANDROGEN YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-01-06 US disclosed
EP-1122242-A1 CYANOPHENYL DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2001-08-08 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 (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-20040010037-A1 Cyanophenyl derivative BPHL, AR, KLK3 LOXL2 825/4885LMNA 1602/4885MAPT 4216/4885

“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.