SCHEMBL13320977

SCHEMBL13320977

c1ccc(N(c2ccncc2)c2cc3cccc4c(N(c5ccccc5)c5ccncc5)cc5cccc2c5c34)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.36
CYP1A2 P05177 3/20 0.36
ERBB2 P04626 1/20 0.36
FYN P06241 1/20 0.36
MAOA P21397 1/20 0.36
ACHE P22303 1/20 0.36
AHR P35869 1/20 0.36
SLC6A2 P23975 5/20 0.35
SIGMAR1 Q99720 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 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
SCHEMBL13089925 0.90 CYP1A2 (0.42) KDM1ACYP1A2ERBB2FYNMAOA
SCHEMBL24106738 0.85 CYP1A2 (0.52) KDM1ACYP1A2ERBB2FYNMAOA
SCHEMBL13320932 0.84 CYP1A2 (0.41) KDM1ACYP1A2ERBB2FYNMAOA
SCHEMBL14069631 0.83 CYP1A2 (0.50) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL13320921 0.82 CYP1A2 (0.49) KDM1ACYP1A2ERBB2FYNMAOA
SCHEMBL16484764 0.81 SIGMAR1 (0.44) CYP1A2SLC6A2SIGMAR1ALDH1A1HPGD
SCHEMBL25028087 0.81 CYP1A2 (0.36) KDM1ACYP1A2ERBB2FYNMAOA
SCHEMBL13320938 0.81 CYP1A2 (0.40) KDM1ACYP1A2ERBB2FYNMAOA
SCHEMBL13320962 0.80 ALDH1A1 (0.33) KDM1ACYP1A2ERBB2FYNMAOA
SCHEMBL13320967 0.80 ALDH1A1 (0.34) CYP1A2ERBB2FYNMAOAACHE

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100109517-A1 PYRENE POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-05-06 US 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-20100109517-A1 PYRENE POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME TERB1, AHR, CYP1A1 KDM1A 1590/4885CYP1A2 21/4885ERBB2 1233/4885

“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.