SCHEMBL2121707

SCHEMBL2121707

COc1ncccc1-c1c[c]on1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
DHODH Q02127 1/20 0.38
ELANE P08246 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
CHRNA7 P36544 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
PDE2A O00408 1/20 0.37
PDE10A Q9Y233 1/20 0.37
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
APLNR P35414 1/20 0.36
NAAA Q02083 1/20 0.35
MTOR P42345 1/20 0.35

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
SCHEMBL2122983 0.74 BTK (0.44) BTKCA1CA2ALOX5APFEN1
SCHEMBL7162849 0.74 BTK (0.44) BTKCA1CA2ALOX5APFEN1
SCHEMBL16481976 0.72 BTK (0.42) BTKCA1CA2ALOX5APFEN1
SCHEMBL6206420 0.71 BTK (0.44) BTKCA1CA2ALOX5APFEN1
SCHEMBL2123728 0.69 NPC1 (0.42) RAB9ANPC1L3MBTL1KDM4EALDH1A1
SCHEMBL2842086 0.69 IDO1 (0.42) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL12864093 0.68 NPC1 (0.55) BTKCA1CA2ALOX5APFEN1
SCHEMBL4056518 0.68 DHODH (0.54) BTKCA1CA2ALOX5APFEN1
SCHEMBL5277758 0.68 RAB9A (0.31) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL6262670 0.68 ALOX5AP (0.47) BTKCA1CA2ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521453-B2 e.g. 5-Bromo-2-(3-methylisoxazol-5-ylmethylamino)-4-(5-cyclopropyl- 1H-pyrazol-3-ylamino)pyrimidine; anticarcinogenic, antitumor agents; breast, prostate, colon cancer ASTRAZENECA AB (SE) 2009-04-21 US claimed
EP-1456182-B1 PYRIMIDINE DERIVATIVES AS MODULATORS OF INSULINE-LIKE GROWTH FACTOR-1 RECEPTOR (IGF-I) ASTRAZENECA AB (SE) 2009-03-11 EP claimed
US-20050054638-A1 Pyrimidine derivatives as modulators of insulin-like growth factor-1 receptor (igf-i) ASTRAZENECA AB 2005-03-10 US claimed
EP-1456182-A1 PYRIMIDINE DERIVATIVES AS MODULATORS OF INSULINE-LIKE GROWTH FACTOR-1 RECEPTOR (IGF-I) AstraZeneca AB (SE) 2004-09-15 EP claimed
WO-2003048133-A1 PYRIMIDINE DERIVATIVES AS MODULATORS OF INSULINE-LIKE GROWTH FACTOR-1 RECEPTOR (IGF-I) ASTRAZENECA AB (SE) 2003-06-12 WO claimed
US-20120095011-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2012-04-19 US disclosed
US-20090131463-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2009-05-21 US disclosed
US-7521453-B2 e.g. 5-Bromo-2-(3-methylisoxazol-5-ylmethylamino)-4-(5-cyclopropyl- 1H-pyrazol-3-ylamino)pyrimidine; anticarcinogenic, antitumor agents; breast, prostate, colon cancer ASTRAZENECA AB (SE) 2009-04-21 US disclosed
EP-1456182-B1 PYRIMIDINE DERIVATIVES AS MODULATORS OF INSULINE-LIKE GROWTH FACTOR-1 RECEPTOR (IGF-I) ASTRAZENECA AB (SE) 2009-03-11 EP disclosed
US-20050054638-A1 Pyrimidine derivatives as modulators of insulin-like growth factor-1 receptor (igf-i) ASTRAZENECA AB 2005-03-10 US disclosed
EP-1456182-A1 PYRIMIDINE DERIVATIVES AS MODULATORS OF INSULINE-LIKE GROWTH FACTOR-1 RECEPTOR (IGF-I) AstraZeneca AB (SE) 2004-09-15 EP disclosed
WO-2003048133-A1 PYRIMIDINE DERIVATIVES AS MODULATORS OF INSULINE-LIKE GROWTH FACTOR-1 RECEPTOR (IGF-I) ASTRAZENECA AB (SE) 2003-06-12 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 (3 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-20090131463-A1 NOVEL COMPOUNDS C1R, TBXA2R, F12 BTK 3365/4885CA1 4688/4885CA2 4411/4885
US-20120095011-A1 NOVEL COMPOUNDS C1R, TBXA2R, F12 BTK 3365/4885CA1 4688/4885CA2 4411/4885
US-20050054638-A1 Pyrimidine derivatives as modulators of insulin-like growth factor-1 receptor (igf-i) IGF1R, IGFBP1, INSR BTK 1503/4885CA1 4877/4885CA2 4829/4885

“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.