SCHEMBL986510

SCHEMBL986510

Cc1c(Cl)cccc1-n1nnnc1-c1cc(-c2ccc(CN(C)C)cc2)cnc1N

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
P2RX7 Q99572 1/20 0.39
TAAR1 Q96RJ0 1/20 0.37
ACHE P22303 1/20 0.36
AURKA O14965 1/20 0.36
CDK2 P24941 1/20 0.36
TTK P33981 1/20 0.36
NEK2 P51955 1/20 0.36
PLK1 P53350 1/20 0.36
MAP4K4 O95819 3/20 0.35
CHRNA7 P36544 1/20 0.35
KCNN4 O15554 3/20 0.35
TNKS O95271 1/20 0.35
FYN P06241 3/20 0.34
LRRK2 Q5S007 1/20 0.34
MET P08581 1/20 0.33
USP7 Q93009 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
SCHEMBL982604 0.93 P2RX7 (0.48) P2RX7TAAR1ACHEAURKACDK2
SCHEMBL986783 0.91 KCNN4 (0.38) P2RX7TAAR1ACHEAURKACDK2
SCHEMBL986569 0.90 TAAR1 (0.39) P2RX7TAAR1ACHEAURKACDK2
SCHEMBL986681 0.89 KCNN4 (0.40) ALDH1A1ACHEAURKACDK2TTK
SCHEMBL986721 0.87 KCNN4 (0.39) P2RX7TAAR1ACHEAURKACDK2
SCHEMBL986090 0.85 AURKA (0.36) ALDH1A1P2RX7TAAR1ACHEAURKA
SCHEMBL983197 0.85 LRRK2 (0.44) ALDH1A1TSHRACHELRRK2MET
SCHEMBL985525 0.85 KCNN4 (0.40) ACHEAURKACDK2TTKNEK2
SCHEMBL986719 0.85 TLR7 (0.39) ACHEAURKACDK2TTKNEK2
SCHEMBL985850 0.84 P2RX7 (0.47) ALDH1A1TSHRP2RX7NEK2PLK1

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 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-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 ALDH1A1 3864/4885TSHR 2018/4885P2RX7 3624/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 ALDH1A1 3864/4885TSHR 2018/4885P2RX7 3624/4885

“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.