SCHEMBL7125078

SCHEMBL7125078

N=C(Nc1cccc(Nc2nccc3ccccc23)c1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
ABCG2 Q9UNQ0 5/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 1/20 0.43
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
TNF P01375 2/20 0.42
EGFR P00533 2/20 0.41
MAPK14 Q16539 1/20 0.41
PRKD3 O94806 1/20 0.40
ABL1 P00519 1/20 0.40
PRKCG P05129 1/20 0.40
PRKCB P05771 1/20 0.40
PDGFRB P09619 1/20 0.40
BCR P11274 1/20 0.40

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
SCHEMBL7128446 0.85 ABCG2 (0.41) HDAC3HDAC1HDAC6ABCG2MEN1
SCHEMBL7128452 0.85 ABCG2 (0.46) ABCG2MEN1KMT2AMAPTKDM4E
SCHEMBL7119901 0.79 ABCG2 (0.47) ABCG2MEN1KMT2AMAPTKDM4E
SCHEMBL1921849 0.79 ABCG2 (0.53) ABCG2MEN1KMT2AMAPTKDM4E
SCHEMBL7127641 0.76 AHR (0.58) MEN1KMT2AMAPTKDM4ETNF
SCHEMBL7117443 0.76 EPHX2 (0.62) ABCG2MEN1KMT2AMAPTKDM4E
SCHEMBL4933191 0.75 TNF (0.64) ABCG2MEN1KMT2AMAPTKDM4E
SCHEMBL26789989 0.75 TNF (0.64) ABCG2TNFEGFR
SCHEMBL20356686 0.75 EGFR (0.61) ABCG2KMT2AMAPTKDM4EMAPK1
SCHEMBL5489159 0.74 RAF1 (0.54) ABCG2MEN1KMT2AMAPTTP53

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 HDAC3 73/4885HDAC1 28/4885HDAC6 62/4885

“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.