SCHEMBL985789

SCHEMBL985789

CC(c1ccc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)cc1)N1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 12/20 0.37
TGFBR1 P36897 2/20 0.36
ACVR1 Q04771 2/20 0.36
BMPR1B O00238 1/20 0.36
ACVR2A P27037 1/20 0.36
BMPR1A P36894 1/20 0.36
ACVR1B P36896 1/20 0.36
ACVRL1 P37023 1/20 0.36
TGFBR2 P37173 1/20 0.36
ACVR2B Q13705 1/20 0.36
LRRK2 Q5S007 5/20 0.34
ACHE P22303 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
SCHEMBL987392 1.00 KCNN4 (0.37) KCNN4TGFBR1ACVR1BMPR1BACVR2A
SCHEMBL986434 1.00 KCNN4 (0.37) KCNN4TGFBR1ACVR1BMPR1BACVR2A
SCHEMBL984954 0.88 KCNN4 (0.42) KCNN4ACHE
SCHEMBL988087 0.87 KCNN4 (0.41) KCNN4ACHE
SCHEMBL27918495 0.87 KCNN4 (0.41) KCNN4ACHE
SCHEMBL983613 0.86 MEN1 (0.38) KCNN4LRRK2
SCHEMBL983565 0.85 KCNN4 (0.35) KCNN4
SCHEMBL27900679 0.85 KCNN4 (0.39) KCNN4ACHE
SCHEMBL986694 0.85 KCNN4 (0.39) KCNN4ACHE
SCHEMBL27918546 0.85 KCNN4 (0.39) KCNN4ACHE

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 16 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
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-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
WO-2007111904-A2 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-04 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 (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 KCNN4 4013/4885TGFBR1 2052/4885ACVR1 796/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 KCNN4 4013/4885TGFBR1 2052/4885ACVR1 796/4885

“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.