SCHEMBL2083441

SCHEMBL2083441

Nc1cc(-c2ccccc2F)nn1-c1cccc(I)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TSHR P16473 1/20 0.43
GFER P55789 1/20 0.43
NPC1 O15118 6/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 5/20 0.42
STAT1 P42224 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PTGS1 P23219 2/20 0.41
POLB P06746 1/20 0.39
ALOX15 P16050 1/20 0.39
MPO P05164 1/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL2079364 0.74 MAPT (0.41) RAB9ASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2085654 0.74 TYK2 (0.46) ALDH1A1KMT2ATSHRMAPTKDM4E
SCHEMBL2079363 0.74 MAPT (0.41) RAB9ASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2083131 0.73 MAPK14 (0.39) RAB9ASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2078698 0.73 POLB (0.47) RAB9ASMN1; SMN2ALDH1A1NPC1NFKB1
SCHEMBL2079352 0.72 MAPK14 (0.47) RAB9ASMN1; SMN2ALDH1A1NPC1NFKB1
SCHEMBL1725460 0.71 MPL (0.46) RAB9AALDH1A1NPC1L3MBTL1KDM4E
SCHEMBL17290570 0.69 MAPT (0.53) ALDH1A1KMT2ANPC1MAPTKDM4E
SCHEMBL30229682 0.68 RAB9A (0.77) RAB9ASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2082148 0.66 NPC1 (0.44) RAB9ASMN1; SMN2ALDH1A1MEN1KMT2A

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-8163756-B2 For example,1-(3-t-butyl-1- (1,2,3,4-tetrahydro- isoquinolin-6-yl)-1H- pyrazol-5-yl)-3-(3- cyanophenyl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, LLC (US) 2012-04-24 US disclosed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
EP-1835934-A2 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US disclosed
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 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-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK RAB9A 2127/4885SMN1; SMN2 3782/4885ALDH1A1 1036/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 RAB9A 2892/4885SMN1; SMN2 2868/4885ALDH1A1 1274/4885

“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.