SCHEMBL986259

SCHEMBL986259

Nc1ncccc1-c1nncn1-c1cccc(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
AKT1 P31749 7/20 0.38
HCAR1 Q9BXC0 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAP4K4 O95819 1/20 0.35
RXRA P19793 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
AKT2 P31751 2/20 0.33
PI4KA P42356 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33
PI4K2A Q9BTU6 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
HSD11B1 P28845 1/20 0.33
KCNN4 O15554 1/20 0.33
LRRK2 Q5S007 1/20 0.32
RPS6KA5 O75582 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32

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
SCHEMBL4405964 0.89 MAP4K4 (0.38) ALDH1A1AKT1HCAR1KDM4EMAP4K4
SCHEMBL986522 0.88 P2RX7 (0.39) ALDH1A1AKT1HCAR1MAP4K4RXRA
SCHEMBL984874 0.84 HCAR1 (0.39) ALDH1A1AKT1HCAR1KDM4ERXRA
SCHEMBL984208 0.81 ALDH1A1 (0.35) ALDH1A1AKT1HCAR1PI4KAPI4K2B
SCHEMBL982271 0.81 P2RX7 (0.49) ALDH1A1HCAR1P2RX7
SCHEMBL4406059 0.80 FYN (0.45) ALDH1A1AKT1KDM4EAKT2
SCHEMBL4405468 0.78 MAP4K4 (0.42) MAP4K4LRRK2
SCHEMBL4832730 0.77 CDK2 (0.45) KDM4EMAP4K4LRRK2
SCHEMBL4405659 0.77 LRRK2 (0.46) MAP4K4LRRK2
SCHEMBL4416785 0.77 MAP4K4 (0.43) ALDH1A1AKT1MAP4K4LRRK2

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 8 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 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-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
EP-2004625-A2 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Vertex Pharmaceuticals Incorporated (US) 2008-12-24 EP 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 3864/4885AKT1 72/4885HCAR1 4131/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 ALDH1A1 3864/4885AKT1 72/4885HCAR1 4131/4885

“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.