SCHEMBL2124597

SCHEMBL2124597

CCOc1ccccc1/C(Cl)=N/O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.50
ALDH1A1 P00352 3/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 4/20 0.44
GAA P10253 2/20 0.44
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GLA P06280 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KCNMA1 Q12791 2/20 0.43
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL2124599 1.00 HCRTR1 (0.50) HCRTR1ALDH1A1HPGDHSD17B10MAPT
SCHEMBL2120412 0.79 CA1 (0.46) ALDH1A1HPGDMAPTL3MBTL1HTT
SCHEMBL470307 0.79 CA1 (0.46) ALDH1A1HPGDMAPTL3MBTL1HTT
SCHEMBL4035904 0.79 CA1 (0.46) ALDH1A1HPGDMAPTL3MBTL1HTT
SCHEMBL30210823 0.79 CA1 (0.46) ALDH1A1HPGDMAPTL3MBTL1HTT
SCHEMBL2789848 0.79 HCRTR1 (0.50) HCRTR1ALDH1A1HPGDHSD17B10MAPT
SCHEMBL2789846 0.79 HCRTR1 (0.50) HCRTR1ALDH1A1HPGDHSD17B10MAPT
SCHEMBL17041013 0.78 TSHR (0.55) HPGDMAPTGAAMAPK1MEN1
SCHEMBL13866658 0.78 HCRTR1 (0.53) HCRTR1ALDH1A1HPGDHSD17B10MAPT
SCHEMBL990 0.78 HCRTR1 (0.62) HCRTR1ALDH1A1HPGDHSD17B10MAPT

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-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

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 HCRTR1 331/4885ALDH1A1 1142/4885HPGD 2832/4885
US-20120095011-A1 NOVEL COMPOUNDS C1R, TBXA2R, F12 HCRTR1 331/4885ALDH1A1 1142/4885HPGD 2832/4885
US-20050054638-A1 Pyrimidine derivatives as modulators of insulin-like growth factor-1 receptor (igf-i) IGF1R, IGFBP1, INSR HCRTR1 2114/4885ALDH1A1 1133/4885HPGD 3004/4885

“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.