SCHEMBL986276

SCHEMBL986276

O=C(Nc1cccc(F)c1F)c1cc(Br)cnc1Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.41
ACLY P53396 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
KCNMA1 Q12791 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
GRM4 Q14833 1/20 0.39
PLA2G7 Q13093 1/20 0.39

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
SCHEMBL985376 0.90 TP53 (0.46) TP53MEN1KMT2AHPGDACLY
SCHEMBL984274 0.82 EPHB3 (0.50) TP53MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4484518 0.81 RXFP1 (0.57) TP53SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL8290958 0.79 BRAF (0.55) PLA2G7
SCHEMBL985881 0.79 LRRK2 (0.53) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL3849125 0.76 RAB9A (0.56) TP53MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL1472005 0.76 HSPD1 (0.55) MEN1KMT2ANPC1RAB9A
SCHEMBL987909 0.75 TDP1 (0.39) TP53SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL16333373 0.74 ATR (0.49) TP53MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL12276689 0.73 GPR35 (0.52) TP53KMT2ASMN1; SMN2NPC1RAB9A

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 7 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 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 TP53 424/4885MEN1 402/4885KMT2A 1014/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 TP53 424/4885MEN1 402/4885KMT2A 1014/4885

“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.