SCHEMBL7121990

SCHEMBL7121990

c1cc(Nc2nncc3ccccc23)cc(-n2ccnc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.51
KDR P35968 8/20 0.51
ABL1 P00519 1/20 0.49
PDGFRB P09619 1/20 0.49
BCR P11274 1/20 0.49
SRC P12931 1/20 0.49
PDGFRA P16234 1/20 0.49
PRKCA P17252 1/20 0.49
PRKCD Q05655 1/20 0.49
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
CYP19A1 P11511 1/20 0.46
SYK P43405 3/20 0.45
IDO1 P14902 1/20 0.43
CYP3A4 P08684 3/20 0.42
KDM4E B2RXH2 2/20 0.42
TP53 P04637 2/20 0.42
GOT1 P17174 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 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
SCHEMBL7117333 0.83 ABL1 (0.54) EGFRABL1PDGFRBBCRSRC
SCHEMBL21362368 0.77 CYP3A4 (0.62) ABL1PDGFRBBCRSRCPDGFRA
SCHEMBL7123001 0.76 ABL1 (0.42) KDRABL1PDGFRBBCRSRC
SCHEMBL7130668 0.76 ABL1 (0.53) ABL1PDGFRBBCRSRCPDGFRA
SCHEMBL7123054 0.76 KDR (0.59) EGFRKDRPDGFRBPDGFRA
SCHEMBL479267 0.73 EGFR (0.76) EGFRKDRCYP3A4KDM4ETP53
SCHEMBL31426459 0.73 EGFR (0.76) EGFRKDRCYP3A4KDM4ETP53
SCHEMBL4820797 0.73 SMN1; SMN2 (0.59) EGFRKDRPDGFRBCYP3A4KDM4E
SCHEMBL4783313 0.73 EGFR (0.58) EGFRKDRSYKCYP3A4KDM4E
SCHEMBL8592858 0.73 ABL1 (0.67) EGFRABL1PDGFRBBCRSRC

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-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 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-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 EGFR 319/4885KDR 1404/4885ABL1 212/4885

“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.