SCHEMBL2122409

SCHEMBL2122409

COc1ccccc1-c1c[c]on1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.46
ALDH1A1 P00352 5/20 0.43
RAB9A P51151 6/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
HSD17B10 Q99714 5/20 0.43
NPC1 O15118 5/20 0.43
TP53 P04637 5/20 0.43
RXFP1 Q9HBX9 2/20 0.43
HSP90AA1 P07900 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
PPARG P37231 1/20 0.43
KMT2A Q03164 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
GAA P10253 2/20 0.42
TSHR P16473 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
SCHEMBL2842086 0.82 IDO1 (0.42) ALDH1A1RAB9ASMN1; SMN2HSD17B10NPC1
SCHEMBL2123730 0.82 ALDH1A1 (0.47) ALDH1A1RAB9ASMN1; SMN2HSD17B10NPC1
SCHEMBL2123079 0.79 CNR2 (0.44) ALDH1A1L3MBTL1KDM4ENPSR1MAPT
SCHEMBL2123728 0.77 NPC1 (0.42) METAP2ALDH1A1RAB9ASMN1; SMN2HSD17B10
SCHEMBL2122470 0.73 IDO1 (0.42) ALDH1A1RAB9ASMN1; SMN2HSD17B10NPC1
SCHEMBL731127 0.72 ALDH1A1 (0.47) METAP2ALDH1A1SMN1; SMN2HSD17B10HSP90AA1
SCHEMBL2124969 0.71 METAP2 (0.49) METAP2ALDH1A1RAB9ASMN1; SMN2HSD17B10
SCHEMBL29840676 0.71 METAP2 (0.49) METAP2ALDH1A1RAB9ASMN1; SMN2HSD17B10
SCHEMBL3629826 0.70 ALDH1A1 (0.57) METAP2ALDH1A1RAB9ASMN1; SMN2HSD17B10
SCHEMBL29788337 0.70 CA1 (0.71) METAP2ALDH1A1RAB9ASMN1; SMN2HSD17B10

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 METAP2 4480/4885ALDH1A1 1142/4885RAB9A 618/4885
US-20120095011-A1 NOVEL COMPOUNDS C1R, TBXA2R, F12 METAP2 4480/4885ALDH1A1 1142/4885RAB9A 618/4885
US-20050054638-A1 Pyrimidine derivatives as modulators of insulin-like growth factor-1 receptor (igf-i) IGF1R, IGFBP1, INSR METAP2 3627/4885ALDH1A1 1133/4885RAB9A 4080/4885

“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.