SCHEMBL985509

SCHEMBL985509

Nc1nccnc1C(=O)Nc1cccc(Cl)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.56
POLB P06746 1/20 0.54
PIM1 P11309 1/20 0.54
PIM3 Q86V86 1/20 0.54
PIM2 Q9P1W9 1/20 0.54
GRM5 P41594 1/20 0.54
PRKCI P41743 5/20 0.52
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
GAA P10253 1/20 0.49
LMNA P02545 3/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 1/20 0.47
MCL1 Q07820 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL6219828 0.88 ATR (0.63) ATRPIM1PIM3PIM2GRM5
SCHEMBL982381 0.86 ATR (0.54) ATRPIM1PIM3PIM2GRM5
SCHEMBL985740 0.82 GAA (0.64) POLBPRKCIKDM4EMEN1KMT2A
SCHEMBL984878 0.81 KDM4E (0.43) ATRPOLBGRM5KDM4EMEN1
SCHEMBL984879 0.81 KDM4E (0.43) ATRPOLBGRM5KDM4EMEN1
SCHEMBL1902066 0.79 ATR (0.67) ATRPIM1PIM3PIM2GRM5
SCHEMBL984242 0.77 ATR (0.56) ATRPIM1PIM3PIM2GRM5
SCHEMBL11908944 0.77 PIM1 (0.60) ATRPIM1PIM3PIM2GRM5
SCHEMBL29217384 0.76 ALDH1A1 (0.67) MEN1KMT2AGAALMNARAB9A
SCHEMBL11310396 0.73 MEN1 (0.70) POLBKDM4EMEN1KMT2AGAA

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 5 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
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US 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 ATR 1030/4885POLB 3850/4885PIM1 78/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 ATR 1030/4885POLB 3850/4885PIM1 78/4885

“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.