SCHEMBL3567203

SCHEMBL3567203

CN(C)C(=O)c1cc(I)cc(F)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K2 P36507 2/20 0.41
MAP2K1 Q02750 2/20 0.41
AR P10275 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CFTR P13569 1/20 0.32
KMT2A Q03164 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA9 Q16790 1/20 0.32
MEN1 O00255 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAP4K1 Q92918 3/20 0.31
MTOR P42345 3/20 0.31
PIK3CA P42336 2/20 0.31
ERN1 O75460 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
SCHEMBL20670885 0.84 PIK3CA (0.35) MAP2K2MAP2K1HDAC1HDAC6CFTR
SCHEMBL3489332 0.82 MAP2K2 (0.43) MAP2K2MAP2K1ARALDH1A1KMT2A
SCHEMBL4605786 0.80 HDAC1 (0.36) MAP2K2MAP2K1ALDH1A1HDAC1HDAC6
SCHEMBL31318246 0.79 ALDH1A1 (0.47) MAP2K2MAP2K1ARALDH1A1HDAC1
SCHEMBL3564724 0.78 KDM4E (0.41) MAP2K2MAP2K1ALDH1A1HDAC1HDAC6
SCHEMBL25112469 0.76 KDM4E (0.46) ALDH1A1HDAC1HDAC6CFTRKMT2A
SCHEMBL1477538 0.75 MAP2K2 (0.49) MAP2K2MAP2K1ARALDH1A1KMT2A
SCHEMBL21516873 0.75 MAP2K1 (0.52) MAP2K2MAP2K1ARALDH1A1KMT2A
SCHEMBL3489124 0.71 MAP4K1 (0.44) MAP2K2MAP2K1ALDH1A1CFTRKMT2A
SCHEMBL7459410 0.71 MEN1 (0.44) ALDH1A1HDAC1CFTRKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709645-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-05-04 US disclosed
US-7709645-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-05-04 US disclosed
US-7709645-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-05-04 US disclosed
EP-2134343-A2 PYRROLO-PYRIDINE KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-12-23 EP disclosed
US-20090143352-A1 PYRROLO-PYRIDINE KINASE MODULATIORS SGX PHARMACEUTICALS, INC. (US) 2009-06-04 US disclosed
US-20090143352-A1 PYRROLO-PYRIDINE KINASE MODULATIORS SGX PHARMACEUTICALS, INC. (US) 2009-06-04 US disclosed
US-20090143352-A1 PYRROLO-PYRIDINE KINASE MODULATIORS SGX PHARMACEUTICALS, INC. (US) 2009-06-04 US disclosed
WO-2008124849-A2 PYRROLO-PYRIDINE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-16 WO disclosed
WO-2008124849-A2 PYRROLO-PYRIDINE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-16 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 (1 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-20090143352-A1 PYRROLO-PYRIDINE KINASE MODULATIORS MAP4K2, PDXK, MAP4K1 MAP2K2 153/4885MAP2K1 352/4885AR 3802/4885

“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.