SCHEMBL984820

SCHEMBL984820

CN1CCN(C(=O)Nc2cccc(-c3cnc(N)c(-c4nnnn4-c4cccc(F)c4F)c3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
LIMK1 P53667 1/20 0.44
LIMK2 P53671 1/20 0.44
FYN P06241 3/20 0.41
USP7 Q93009 1/20 0.41
CHEK2 O96017 1/20 0.40
POLB P06746 1/20 0.40
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2C P28335 1/20 0.40
HTR6 P50406 1/20 0.40
MAPT P10636 1/20 0.38
KCNH2 Q12809 3/20 0.38
ABL1 P00519 2/20 0.38
BCR P11274 1/20 0.38
IGF1R P08069 1/20 0.37
ATR Q13535 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.37
GAK O14976 1/20 0.37

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
SCHEMBL985132 0.93 LIMK1 (0.42) KDM4ELIMK1LIMK2FYNUSP7
SCHEMBL986668 0.87 FYN (0.55) FYNUSP7CHEK2ATRPIK3C3
SCHEMBL987272 0.86 CYP3A4 (0.42) LIMK1LIMK2POLBMAPT
SCHEMBL985934 0.85 ALDH1A1 (0.43) FYNUSP7CHEK2POLBMAPT
SCHEMBL986437 0.85 FYN (0.44) KDM4EFYNUSP7CHEK2GAK
SCHEMBL27900673 0.84 FYN (0.44) FYNUSP7CHEK2
SCHEMBL986141 0.83 BRAF (0.44) KDM4ELIMK1FYNUSP7CHEK2
SCHEMBL986949 0.83 MAP4K4 (0.48) FYNUSP7POLBMAPTALDH1A1
SCHEMBL28802215 0.83 CDK8 (0.46) FYNUSP7CHEK2SMN1; SMN2
SCHEMBL984853 0.82 BRAF (0.47) FYNUSP7CHEK2ATR

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 11 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-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
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

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 KDM4E 1069/4885LIMK1 468/4885LIMK2 464/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 KDM4E 1069/4885LIMK1 468/4885LIMK2 464/4885

“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.