SCHEMBL5107142

SCHEMBL5107142

Brc1cccc(CN2CC3Cc4ccccc4CC2CN3Cc2cccc(Br)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MBTD1 Q05BQ5 1/20 0.46
L3MBTL3 Q96JM7 1/20 0.46
RORC P51449 6/20 0.43
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
CYP11B1 P15538 1/20 0.40
ADRA2C P18825 1/20 0.40
CYP11B2 P19099 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
SLC18A3 Q16572 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ADORA2A P29274 1/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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 SCHEMBL5107646 0.98 SMN1; SMN2 (0.45) SMN1; SMN2TDP1MBTD1L3MBTL3RORC
SCHEMBL5107703 0.92 SMN1; SMN2 (0.40) SMN1; SMN2TDP1MBTD1L3MBTL3RORC
Hydrochloric Acid SCHEMBL5100769 0.91 MBTD1 (0.40) SMN1; SMN2TDP1MBTD1L3MBTL3RORC
SCHEMBL5094225 0.88 SIRT2 (0.42) SMN1; SMN2TDP1MBTD1L3MBTL3SIRT2
SCHEMBL14458401 0.86 DRD2 (0.43) SMN1; SMN2TDP1MBTD1L3MBTL3RORC
SCHEMBL5621353 0.86 DRD2 (0.43) SMN1; SMN2TDP1MBTD1L3MBTL3RORC
SCHEMBL5097653 0.85 MBTD1 (0.40) SMN1; SMN2TDP1MBTD1L3MBTL3RORC
SCHEMBL14410080 0.85 MBTD1 (0.40) SMN1; SMN2TDP1MBTD1L3MBTL3RORC
Hydrochloric Acid SCHEMBL5107647 0.84 MBTD1 (0.39) SMN1; SMN2TDP1MBTD1L3MBTL3RORC
Trifluoroacetic Acid SCHEMBL5107729 0.81 BRD4 (0.38) SIRT2SIRT1SIGMAR1KDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371754-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2008-05-13 US claimed
EP-1496907-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2007-09-19 EP claimed
US-20050227988-A1 compounds capable of inhibiting, modulating and/or regulating signal transduction of both receptor-type and non-receptor type tyrosine kinases; gliomas, meningomas, cancers, Hodgkin's disease, retinal vascularization; core structure that comprises a benzazocine moiety MERCK SHARP & DOHME CORP. 2005-10-13 US claimed
US-7371754-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2008-05-13 US disclosed
EP-1496907-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2007-09-19 EP disclosed
EP-1496907-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2007-09-19 EP disclosed
US-20050227988-A1 compounds capable of inhibiting, modulating and/or regulating signal transduction of both receptor-type and non-receptor type tyrosine kinases; gliomas, meningomas, cancers, Hodgkin's disease, retinal vascularization; core structure that comprises a benzazocine moiety MERCK SHARP & DOHME CORP. 2005-10-13 US 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-20050227988-A1 compounds capable of inhibiting, modulating and/or regulating signal transduction of both receptor-type and non-receptor type tyrosine kinases; gliomas, meningomas, cancers, Hodgkin's disease, retinal vascularization; core structure that comprises a benzazocine moiety KDR, RET, FLT1 SMN1; SMN2 3886/4885TDP1 2934/4885MBTD1 1495/4885

“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.