SCHEMBL11978271

SCHEMBL11978271

CC(=O)c1nc(Br)c(F)cc1N

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CFTR P13569 12/20 0.44
IKBKB O14920 2/20 0.33
HDAC1 Q13547 3/20 0.32
HDAC6 Q9UBN7 2/20 0.32
PLAU P00749 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC2 Q92769 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL30259615 1.00 CFTR (0.44) CFTRIKBKBHDAC1HDAC6PLAU
SCHEMBL1711471 0.84 CFTR (0.42) CFTRHDAC1HDAC6PLAU
SCHEMBL30668036 0.84 CFTR (0.42) CFTRHDAC1HDAC6PLAU
SCHEMBL16505391 0.84 CFTR (0.42) CFTRIKBKBHDAC1HDAC6PLAU
SCHEMBL318846 0.81 CFTR (0.44) CFTRSMN1; SMN2
SCHEMBL18293452 0.80 CFTR (0.42) CFTRIKBKBSMN1; SMN2
SCHEMBL12295752 0.77 CFTR (0.57) CFTRIKBKB
SCHEMBL14067731 0.76 CFTR (0.36) CFTR
SCHEMBL12687704 0.75 CFTR (0.38) CFTR
SCHEMBL31751413 0.74 CFTR (0.53) CFTR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 US disclosed
US-20140228363-A1 TETRASUBSTITUTED CYCLOHEXYL COMPOUNDS AS KINASE INHIBITORS NOVARTIS AG (CH) 2014-08-14 US disclosed
US-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-05-02 US disclosed
US-20120225061-A1 TETRASUBSTITUTED CYCLOHEXYL COMPOUNDS AS KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-09-06 US disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 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 (5 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-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS PIM1, GSK3A, GSK3B CFTR 1677/4885IKBKB 529/4885HDAC1 2832/4885
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 CFTR 4093/4885IKBKB 195/4885HDAC1 1638/4885
US-20140228363-A1 TETRASUBSTITUTED CYCLOHEXYL COMPOUNDS AS KINASE INHIBITORS PIM1, PIM2, PIM3 CFTR 1284/4885IKBKB 130/4885HDAC1 725/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 CFTR 4093/4885IKBKB 195/4885HDAC1 1638/4885
US-20120225061-A1 TETRASUBSTITUTED CYCLOHEXYL COMPOUNDS AS KINASE INHIBITORS PIM1, PIM2, PIM3 CFTR 1284/4885IKBKB 130/4885HDAC1 725/4885

“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.