SCHEMBL986080

SCHEMBL986080

Nc1ncc(-c2cccnc2)cc1-c1nnnn1-c1cc(Cl)cc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.48
ALDH1A1 P00352 5/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
FYN P06241 1/20 0.46
NPSR1 Q6W5P4 4/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
LMNA P02545 3/20 0.43
CYP1A2 P05177 2/20 0.43
STAT3 P40763 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 3/20 0.42
CYP2D6 P10635 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
ACHE P22303 1/20 0.42
MAP4K4 O95819 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL987313 0.87 ALDH1A1 (0.47) CHEK2ALDH1A1L3MBTL1FYNNPSR1
SCHEMBL985598 0.84 FYN (0.48) CHEK2ALDH1A1L3MBTL1FYNCYP3A4
SCHEMBL983010 0.83 FYN (0.45) CHEK2ALDH1A1L3MBTL1FYNNPSR1
SCHEMBL984739 0.83 FYN (0.43) CHEK2ALDH1A1L3MBTL1FYNNPSR1
SCHEMBL987401 0.83 JAK2 (0.46) CHEK2ALDH1A1L3MBTL1FYNNPSR1
SCHEMBL984392 0.82 P2RX7 (0.49) CHEK2ALDH1A1L3MBTL1FYNP2RX7
SCHEMBL987460 0.81 JAK2 (0.45) CHEK2ALDH1A1L3MBTL1FYNNPSR1
SCHEMBL983498 0.81 FYN (0.47) CHEK2ALDH1A1L3MBTL1FYNNPSR1
SCHEMBL985986 0.81 JAK2 (0.48) CHEK2ALDH1A1L3MBTL1FYNNPSR1
SCHEMBL986671 0.81 FYN (0.44) CHEK2ALDH1A1L3MBTL1FYNNPSR1

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 15 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
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 CHEK2 134/4885ALDH1A1 3864/4885L3MBTL1 1318/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 CHEK2 134/4885ALDH1A1 3864/4885L3MBTL1 1318/4885

“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.