SCHEMBL7127641

SCHEMBL7127641

Nc1cccc(Nc2nccc3ccccc23)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.58
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
GFER P55789 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
EGFR P00533 6/20 0.49
ABL1 P00519 2/20 0.48
BCR P11274 2/20 0.48
SRC P12931 2/20 0.48
SYK P43405 1/20 0.48
F12 P00748 1/20 0.47
PLAU P00749 1/20 0.47
NCF1 P14598 1/20 0.47
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47

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
SCHEMBL1921849 0.83 ABCG2 (0.53) KDM4EMEN1MAPTKMT2AEGFR
SCHEMBL20356686 0.83 EGFR (0.61) KDM4ELMNAMAPTKMT2AEGFR
SCHEMBL26789989 0.83 TNF (0.64) EGFRTNF
SCHEMBL4933191 0.83 TNF (0.64) KDM4EMEN1MAPTKMT2AEGFR
SCHEMBL3759489 0.82 F12 (0.52) KDM4EMAPTEGFRF12PLAU
SCHEMBL7127026 0.80 AHR (0.53) AHRKDM4EMEN1LMNAGAA
SCHEMBL806052 0.80 ABCG2 (0.64) MEN1LMNAKMT2ATDP1EGFR
SCHEMBL30398394 0.80 ABCG2 (0.64) MEN1LMNAKMT2ATDP1EGFR
SCHEMBL31098967 0.80 ABCG2 (0.64) MEN1LMNAKMT2AEGFRSRC
SCHEMBL26066694 0.79 EGFR (0.59) KDM4EMEN1LMNAGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 US disclosed
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 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-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 AHR 272/4885KDM4E 2224/4885MEN1 244/4885

“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.