SCHEMBL7130556

SCHEMBL7130556

Fc1ccc2c(c1)-c1ncnc(Cl)c1CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.41
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
NPY5R Q15761 3/20 0.36
PARP1 P09874 1/20 0.36
PARP10 Q53GL7 1/20 0.36
SRD5A1 P18405 1/20 0.35
TYMS P04818 2/20 0.35
HRH4 Q9H3N8 1/20 0.34
PTAFR P25105 1/20 0.34
ACHE P22303 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
CYP19A1 P11511 2/20 0.32
CYP11B1 P15538 1/20 0.32

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
SCHEMBL7118777 0.82 DYRK1A (0.41) DYRK1ANPY5RPARP1PARP10SRD5A1
SCHEMBL7126015 0.78 KDM4E (0.47) ALDH1A1KDM4EMAPTNPY5RACHE
SCHEMBL7130469 0.78 DYRK1A (0.66) DYRK1AALDH1A1KDM4EHRH4ACHE
SCHEMBL9837155 0.69 DYRK1A (0.54) DYRK1AALDH1A1KDM4ENPY5RHRH4
SCHEMBL29558555 0.67 AXL (0.40) DYRK1AMAPTSMN1; SMN2KITCDK9
SCHEMBL7125553 0.67 AXL (0.40) DYRK1AMAPTSMN1; SMN2KITCDK9
SCHEMBL7130459 0.66 AXL (0.39) DYRK1A
SCHEMBL31058911 0.66 KIT (0.38) ALDH1A1KDM4EMAPTMAPK1LMNA
SCHEMBL26152173 0.66 KIT (0.38) ALDH1A1KDM4EMAPTMAPK1LMNA
SCHEMBL28725425 0.64

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 DYRK1A 3357/4885ALDH1A1 2482/4885KDM4E 2224/4885

“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.