SCHEMBL5097653

SCHEMBL5097653

Brc1cccc(CN2CC3Cc4ccccc4CC2CN3)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MBTD1 Q05BQ5 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RORC P51449 6/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
CHRM3 P20309 1/20 0.35
CYP11B1 P15538 1/20 0.35
ADRA2C P18825 1/20 0.35
CYP11B2 P19099 1/20 0.35
SLC18A3 Q16572 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34

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
SCHEMBL14410080 1.00 MBTD1 (0.40) MBTD1L3MBTL3SMN1; SMN2TDP1RORC
Hydrochloric Acid SCHEMBL5107647 0.99 MBTD1 (0.39) MBTD1L3MBTL3SMN1; SMN2TDP1RORC
SCHEMBL5107142 0.85 SMN1; SMN2 (0.46) MBTD1L3MBTL3SMN1; SMN2TDP1RORC
Hydrochloric Acid SCHEMBL5107646 0.84 SMN1; SMN2 (0.45) MBTD1L3MBTL3SMN1; SMN2TDP1RORC
SCHEMBL14458401 0.79 DRD2 (0.43) MBTD1L3MBTL3SMN1; SMN2TDP1RORC
SCHEMBL5107703 0.79 SMN1; SMN2 (0.40) MBTD1L3MBTL3SMN1; SMN2TDP1RORC
SCHEMBL5621353 0.79 DRD2 (0.43) MBTD1L3MBTL3SMN1; SMN2TDP1RORC
Hydrochloric Acid SCHEMBL5100769 0.78 MBTD1 (0.40) MBTD1L3MBTL3SMN1; SMN2TDP1RORC
SCHEMBL5094225 0.75 SIRT2 (0.42) MBTD1L3MBTL3SMN1; SMN2TDP1SIRT2
Hydrochloric Acid SCHEMBL5107648 0.70 MBTD1 (0.34) MBTD1L3MBTL3SMN1; SMN2TDP1RORC

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 10 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
EP-1496907-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2006-05-10 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
EP-1496907-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2005-01-19 EP claimed
WO-2003086315-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-10-23 WO claimed
US-7371754-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2008-05-13 US disclosed
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
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 MBTD1 1495/4885L3MBTL3 4495/4885SMN1; SMN2 3886/4885

“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.