SCHEMBL20176875

SCHEMBL20176875

Cc1ncc(Oc2ccncc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.39
GALR3 O60755 1/20 0.37
SCN9A Q15858 1/20 0.37
CYP3A4 P08684 2/20 0.34
MMP13 P45452 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MMP2 P08253 1/20 0.34
STAT3 P40763 1/20 0.34
HTT P42858 1/20 0.34
MAPK14 Q16539 1/20 0.34
KDR P35968 1/20 0.34
MMP1 P03956 2/20 0.33
AURKA O14965 1/20 0.33
TTK P33981 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
MAP4K4 O95819 1/20 0.33
CYP2D6 P10635 1/20 0.33
RAF1 P04049 1/20 0.33
PTGS1 P23219 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
SCHEMBL754535 0.80 LTA4H (0.55) LTA4HSMN1; SMN2HTTCYP11B1CYP11B2
SCHEMBL20176873 0.79 TGFBR1 (0.46) LTA4HGALR3SCN9AMAP4K4CYP11B1
SCHEMBL13005381 0.78 LTA4H (0.52) LTA4HSMN1; SMN2HTTLMNATDP1
SCHEMBL8540552 0.78 LMNA (0.47) LTA4HSCN9ACYP3A4SMN1; SMN2MMP1
SCHEMBL20176877 0.78 LMNA (0.60) LTA4HSMN1; SMN2HTTMAP4K4CYP11B1
SCHEMBL755812 0.77 MEN1 (0.46) LTA4HSCN9ACYP3A4HTTCYP2D6
SCHEMBL4796162 0.77 TEAD4 (0.59) CYP3A4SMN1; SMN2TDP1
SCHEMBL4796155 0.77 TEAD4 (0.34) LTA4HCYP3A4SMN1; SMN2HTTTDP1
SCHEMBL167722 0.75 TEAD4 (0.56) LTA4HGALR3SCN9ACYP3A4MMP13
SCHEMBL18611837 0.72 NPSR1 (0.46) LTA4HGALR3CYP3A4MMP13SMN1; SMN2

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-20190352276-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2019-11-21 US disclosed
WO-2018092047-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2018-05-24 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-20190352276-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, ABL1, CNKSR1 LTA4H 2951/4885GALR3 294/4885SCN9A 166/4885

“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.