SCHEMBL986283

SCHEMBL986283

CN(C)Cc1ccc(-c2cnc(N)c(-c3nnnn3-c3cccc(Cl)c3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.45
MAP4K4 O95819 4/20 0.41
ACHE P22303 1/20 0.41
LMNA P02545 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HTT P42858 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GPR55 Q9Y2T6 1/20 0.39
TSHR P16473 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP1A2 P05177 1/20 0.39
STAT3 P40763 1/20 0.39
AURKA O14965 1/20 0.38
CDK2 P24941 1/20 0.38
TTK P33981 1/20 0.38
NEK2 P51955 1/20 0.38

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
SCHEMBL986490 0.91 MAP4K4 (0.41) TAAR1MAP4K4ACHELMNAALDH1A1
SCHEMBL986569 0.87 TAAR1 (0.39) TAAR1MAP4K4ACHEAURKACDK2
SCHEMBL985453 0.85 MAP4K4 (0.39) TAAR1MAP4K4ACHELMNAHTT
SCHEMBL986203 0.84 LRRK2 (0.43) MAP4K4ACHELMNAALDH1A1HTT
SCHEMBL985215 0.84 MAP4K4 (0.38) TAAR1MAP4K4ACHELMNAHTT
SCHEMBL986510 0.84 ALDH1A1 (0.42) TAAR1MAP4K4ACHEALDH1A1TSHR
SCHEMBL982604 0.84 P2RX7 (0.48) TAAR1MAP4K4ACHEAURKACDK2
SCHEMBL983096 0.83 ACHE (0.41) MAP4K4ACHELMNAALDH1A1HTT
SCHEMBL983107 0.83 NEK2 (0.39) TAAR1ACHEAURKACDK2TTK
SCHEMBL986783 0.83 KCNN4 (0.38) TAAR1MAP4K4ACHEAURKACDK2

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 TAAR1 4051/4885MAP4K4 150/4885ACHE 4769/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 TAAR1 4051/4885MAP4K4 150/4885ACHE 4769/4885

“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.