SCHEMBL9943604

SCHEMBL9943604

N#Cn1c(=O)c(=O)n(C#N)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 4/20 0.34
GLA P06280 2/20 0.34
GAA P10253 2/20 0.34
HPGD P15428 1/20 0.34
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
PIM1 P11309 1/20 0.33
IMPDH2 P12268 1/20 0.32
TLR9 Q9NR96 1/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.32
BCAT1 P54687 1/20 0.32
ERCC1 P07992 1/20 0.31
FEN1 P39748 1/20 0.31
ERCC4 Q92889 1/20 0.31
PRKD3 O94806 1/20 0.31
PRKCG P05129 1/20 0.31

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
SCHEMBL29940205 0.72 GPR3 (0.46) KDM4ESMN1; SMN2CYP1A2ALDH1A1GAA
SCHEMBL3890065 0.72 GPR3 (0.46) KDM4ESMN1; SMN2CYP1A2ALDH1A1GAA
SCHEMBL32665750 0.72 GPR3 (0.46) KDM4ESMN1; SMN2CYP1A2ALDH1A1GAA
SCHEMBL1389047 0.70 HPGD (0.43) KDM4ESMN1; SMN2ALDH1A1GLAGAA
SCHEMBL12660971 0.64
SCHEMBL9550360 0.63 ALDH1A1 (0.32) KDM4EALDH1A1GAA
SCHEMBL11715309 0.63 SLC6A2 (0.40) KDM4ESMN1; SMN2CYP1A2ALDH1A1GLA
SCHEMBL27946794 0.63 KMT2A (0.36) KDM4ESMN1; SMN2CYP1A2ALDH1A1GLA
SCHEMBL16004444 0.62 CTSL (0.30)
SCHEMBL7476471 0.61 LMNA (0.39) KDM4ESMN1; SMN2ALDH1A1GLAGAA

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-8809427-B2 Phthalocyanine compound and production method therefor, and coloring composition containing the phthalocyanine compound DIC CORPORATION (JP) 2014-08-19 US disclosed
EP-2465860-B1 PHTHALOCYANINE COMPOUND, PREPARATION METHOD THEREFOR, AND COLORING COMPOSITION INCLUDING SAID PHTHALOCYANINE COMPOUND DAINIPPON INK & CHEMICALS (JP) 2014-03-26 EP disclosed
US-20120232194-A1 PHTHALOCYANINE COMPOUND AND PRODUCTION METHOD THEREFOR, AND COLORING COMPOSITION CONTAINING THE PHTHALOCYANINE COMPOUND DIC CORPORATION (JP) 2012-09-13 US disclosed
EP-2465860-A1 PHTHALOCYANINE COMPOUND, PREPARATION METHOD THEREFOR, AND COLORING COMPOSITION INCLUDING SAID PHTHALOCYANINE COMPOUND DIC Corporation (JP) 2012-06-20 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-20120232194-A1 PHTHALOCYANINE COMPOUND AND PRODUCTION METHOD THEREFOR, AND COLORING COMPOSITION CONTAINING THE PHTHALOCYANINE COMPOUND CYP51A1, SLC39A11, LUC7L2 KDM4E 1049/4885SMN1; SMN2 3955/4885CYP1A2 1191/4885

“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.