SCHEMBL20176873

SCHEMBL20176873

Cc1ccc(Oc2ccncc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.46
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
MAP4K4 O95819 1/20 0.41
LTA4H P09960 2/20 0.40
CYP19A1 P11511 1/20 0.40
GALR3 O60755 1/20 0.39
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 2/20 0.38
SCN9A Q15858 1/20 0.38
MEN1 O00255 1/20 0.37
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRNB3 Q05901 1/20 0.36

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
SCHEMBL8737063 0.83 TEAD4 (0.50) TGFBR1MAP4K4TDP1KMT2AMEN1
SCHEMBL29972517 0.82 LMNA (0.60) CYP11B1CYP11B2LTA4HCYP19A1LMNA
SCHEMBL20176876 0.82 LMNA (0.60) CYP11B1CYP11B2LTA4HCYP19A1LMNA
SCHEMBL509776 0.82 LTA4H (0.50) CYP11B1CYP11B2LTA4HLMNA
SCHEMBL11411731 0.82 LTA4H (0.50) TGFBR1MAP4K4LTA4HKMT2AMEN1
SCHEMBL14195600 0.81 TGFBR1 (0.46) TGFBR1MAP4K4LMNATDP1KMT2A
SCHEMBL1446447 0.80 MAP4K4 (0.41) TGFBR1MAP4K4CYP19A1KMT2ACHRNB1
SCHEMBL4797810 0.80 MAP4K4 (0.41) TGFBR1MAP4K4KMT2ACHRNB1CHRNB2
SCHEMBL11415743 0.80 MAPT (0.47) TGFBR1MAP4K4LTA4HLMNAKMT2A
SCHEMBL751951 0.80 MEN1 (0.44) MAP4K4KMT2AMEN1

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 TGFBR1 2355/4885CYP11B1 2214/4885CYP11B2 2684/4885

“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.