SCHEMBL985444

SCHEMBL985444

Brc1ccn(CCN2CCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
LTA4H P09960 1/20 0.40
PTGS2 P35354 1/20 0.40
SIGMAR1 Q99720 5/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACHE P22303 2/20 0.38
SLC6A3 Q01959 1/20 0.37
HTR7 P34969 3/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MBTD1 Q05BQ5 1/20 0.36
L3MBTL3 Q96JM7 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
SCHEMBL12096458 0.79 KMT2A (0.43) HTR7
SCHEMBL7767898 0.71 HRH3 (0.41) L3MBTL1SIGMAR1ACHESLC6A3HRH3
SCHEMBL7240431 0.70 KDM2B (0.43) L3MBTL1HRH3
SCHEMBL1379121 0.69 L3MBTL1 (0.43) L3MBTL1HRH3
SCHEMBL26462643 0.66 HRH3 (0.46) L3MBTL1SIGMAR1SLC6A3HRH3
SCHEMBL238611 0.65 HRH3 (0.62) L3MBTL1SIGMAR1SMN1; SMN2SLC6A3HRH3
SCHEMBL1241103 0.64 HRH3 (0.68) L3MBTL1ATMSIGMAR1SLC6A3HRH3
SCHEMBL1869747 0.63 ALDH1A1 (0.39) L3MBTL1ATMLTA4HPTGS2SIGMAR1
SCHEMBL6627983 0.63 HRH3 (0.71) L3MBTL1ATMSIGMAR1SLC6A3HRH3
SCHEMBL23828671 0.62 HRH3 (0.69) L3MBTL1SIGMAR1SMN1; SMN2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101479255-B C-MET protein kinase inhibitors for the treatment of proliferative disorders VERTEX PHARMA 2013-05-01 CN disclosed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US disclosed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US disclosed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US disclosed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 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 (2 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-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 L3MBTL1 1318/4885ATM 322/4885LTA4H 4362/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 L3MBTL1 1318/4885ATM 322/4885LTA4H 4362/4885

“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.