SCHEMBL985993

SCHEMBL985993

Nc1ncc(-c2cc3c(s2)CCNCC3)cc1-c1nnnn1-c1cccc(Cl)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.35
PARP1 P09874 2/20 0.35
KCNH2 Q12809 2/20 0.35
PARP2 Q9UGN5 2/20 0.35
P2RX7 Q99572 11/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
KCNN4 O15554 3/20 0.32
SCN9A Q15858 1/20 0.32
PTPN11 Q06124 1/20 0.31

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
SCHEMBL986699 0.92 KCNN4 (0.35) PIK3CAPARP1KCNH2PARP2ALDH1A1
SCHEMBL12538755 0.87 PARP1 (0.35) PIK3CAPARP1KCNH2PARP2ALDH1A1
SCHEMBL987251 0.87 KCNN4 (0.36) KCNN4
SCHEMBL12538833 0.84 PARP1 (0.36) PARP1KCNH2PARP2
SCHEMBL12538804 0.83 TGFBR1 (0.37) PARP1KCNH2PARP2ALDH1A1TSHR
SCHEMBL12539393 0.83 LRRK2 (0.33) PARP1KCNH2PARP2ALDH1A1TSHR
SCHEMBL12539030 0.82 KCNN4 (0.32) KCNN4
SCHEMBL1425257 0.82 LRRK2 (0.32)
SCHEMBL12539509 0.82 PARP1 (0.35) PARP1KCNH2PARP2
SCHEMBL983013 0.82 LRRK2 (0.35) PIK3CAP2RX7ALDH1A1TSHRKCNN4

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
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

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 PIK3CA 145/4885PARP1 2744/4885KCNH2 2833/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 PIK3CA 145/4885PARP1 2744/4885KCNH2 2833/4885

“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.