SCHEMBL984443

SCHEMBL984443

COCC1CCCN1Cc1ccc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC1 Q13547 1/20 0.36
KCNN4 O15554 4/20 0.36
SPHK2 Q9NRA0 4/20 0.36
SPHK1 Q9NYA1 3/20 0.36
MET P08581 2/20 0.35
PDE4B Q07343 1/20 0.35
BMPR1B O00238 2/20 0.35
BMPR1A P36894 2/20 0.35
TGFBR1 P36897 2/20 0.35
ACVRL1 P37023 2/20 0.35
ACVR1 Q04771 2/20 0.35
SCN1A P35498 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN8A Q9UQD0 1/20 0.34
FAAH O00519 2/20 0.34
LRRK2 Q5S007 1/20 0.34
RORC P51449 1/20 0.33

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
SCHEMBL984441 1.00 HDAC8 (0.36) HDAC8HDAC6HDAC1KCNN4SPHK2
SCHEMBL27900709 0.91 BMPR1A (0.36) KCNN4SPHK2SPHK1METBMPR1B
SCHEMBL27900710 0.91 BMPR1A (0.36) KCNN4SPHK2SPHK1METBMPR1B
SCHEMBL986077 0.90 SPHK1 (0.44) SPHK2SPHK1
SCHEMBL4409607 0.90 SPHK1 (0.44) SPHK2SPHK1
SCHEMBL985418 0.89 ACVRL1 (0.45) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL983324 0.84 MAOB (0.46) KCNN4SPHK1METBMPR1BBMPR1A
SCHEMBL983325 0.84 MAOB (0.46) KCNN4SPHK1METBMPR1BBMPR1A
SCHEMBL985013 0.83 LRRK2 (0.42) KCNN4METLRRK2
SCHEMBL986682 0.82 KCNN4 (0.37) KCNN4LRRK2

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 6 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 claimed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US claimed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US claimed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US claimed
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP claimed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US claimed

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 HDAC8 3338/4885HDAC6 1571/4885HDAC1 3400/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 HDAC8 3338/4885HDAC6 1571/4885HDAC1 3400/4885

“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.