SCHEMBL20176616

SCHEMBL20176616

COc1ccc(Cn2ncc3c(Cl)c(I)cnc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NPBWR1 P48145 8/20 0.48
MCHR1 Q99705 1/20 0.44
PDE1A P54750 3/20 0.44
PDE1B Q01064 3/20 0.44
PDE1C Q14123 3/20 0.44
ADORA1 P30542 3/20 0.43
ACVR1B P36896 1/20 0.42
TGFBR1 P36897 1/20 0.42
ACVRL1 P37023 1/20 0.42
ACVR1 Q04771 1/20 0.42

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
SCHEMBL25237607 0.87 LMNA (0.52) LMNAALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL3724625 0.86 LMNA (0.51) LMNAALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL15555752 0.85 LMNA (0.52) LMNAALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL4739369 0.85 LMNA (0.52) LMNAALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL20176618 0.85 LMNA (0.52) LMNAALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL16620668 0.83 LMNA (0.53) LMNAALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL1135057 0.81 LMNA (0.52) LMNAALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL31140630 0.81 LMNA (0.49) LMNAALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL25233586 0.81 LMNA (0.49) LMNAALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL3717372 0.80 LMNA (0.52) LMNAALDH1A1MAPTSMN1; SMN2HPGD

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 LMNA 946/4885ALDH1A1 3977/4885MAPT 4703/4885

“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.