SCHEMBL7122204

SCHEMBL7122204

Cc1cn(-c2cccc(Nc3ncnc4c3CCc3ccccc3-4)c2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.40
EGFR P00533 4/20 0.35
KDR P35968 1/20 0.35
NR2E1 Q9Y466 2/20 0.35
PIK3CD O00329 1/20 0.35
HIF1A Q16665 1/20 0.34
CYP2E1 P05181 1/20 0.34
CYP2A6 P11509 1/20 0.34
TTBK1 Q5TCY1 1/20 0.34
TTBK2 Q6IQ55 1/20 0.34
LDLR P01130 1/20 0.34
PCSK9 Q8NBP7 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CYP3A4 P08684 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 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
Hydrochloric Acid SCHEMBL7117269 0.99 DYRK1A (0.40) DYRK1AEGFRKDRNR2E1PIK3CD
Hydrochloric Acid SCHEMBL7123978 0.99 DYRK1A (0.40) DYRK1AEGFRKDRNR2E1PIK3CD
SCHEMBL7122184 0.95 DYRK1A (0.36) DYRK1AEGFRNR2E1LDLRPCSK9
SCHEMBL7130696 0.95 DYRK1A (0.36) DYRK1AEGFRNR2E1LDLRPCSK9
SCHEMBL7119959 0.89 PSEN1 (0.40) EGFRPIK3CDMKNK1CYP3A4PSEN1
SCHEMBL7118834 0.87 PSEN1 (0.40) DYRK1AEGFRKDRPIK3CDHIF1A
SCHEMBL7126114 0.86 DYRK1A (0.38) DYRK1AEGFRKDRPIK3CDHIF1A
SCHEMBL7115935 0.82 DYRK1A (0.40) DYRK1AEGFRKDRPIK3CDHIF1A
SCHEMBL7119936 0.82 DYRK1A (0.34) DYRK1AEGFRKDRPIK3CD
SCHEMBL7125546 0.80 BRD4 (0.45) DYRK1AEGFRKDRCYP2A6TTBK1

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 4 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 claimed
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 WO claimed
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 DYRK1A 3357/4885EGFR 319/4885KDR 1404/4885

“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.