SCHEMBL7128053

SCHEMBL7128053

Cc1ncn(-c2cccc(Nc3ncnc4c(C(F)(F)F)cccc34)c2)c1C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.42
ABCG2 Q9UNQ0 3/20 0.42
HTT P42858 3/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
HIF1A Q16665 1/20 0.39
AURKA O14965 2/20 0.37
RPS6KB1 P23443 2/20 0.37
AURKB Q96GD4 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL7124216 0.82 EGFR (0.56) EGFRABCG2HTTTSHRLMNA
SCHEMBL7130667 0.79 PIP4K2A (0.38) EGFRHTTHIF1AAURKB
SCHEMBL7126625 0.79 EGFR (0.37) EGFRHTTLMNATP53HIF1A
SCHEMBL11091858 0.77 EGFR (0.54) EGFRABCG2HTTTSHRLMNA
Hydrochloric Acid SCHEMBL11093405 0.76 HTT (0.53) EGFRABCG2HTTTSHRLMNA
SCHEMBL7128686 0.74 RIPK2 (0.47) EGFRABCG2HTTTSHRLMNA
SCHEMBL7115935 0.69 DYRK1A (0.40) EGFRHTTMAPTHIF1AGLA
SCHEMBL7118431 0.67 MKNK1 (0.35) EGFRHTTLMNA
SCHEMBL21348441 0.67 PARP1 (0.50) AURKARPS6KB1AURKB
SCHEMBL2261546 0.66 EGFR (0.64) EGFRABCG2HTTTSHRLMNA

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 EGFR 319/4885ABCG2 639/4885HTT 2226/4885

“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.