SCHEMBL2123513

SCHEMBL2123513

CC(C)(C)OC(=O)NCc1cc(-c2ccccc2C#N)no1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.43
POLB P06746 3/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KDM4A O75164 1/20 0.40
PTPN1 P18031 1/20 0.40
CYP1A2 P05177 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
HTT P42858 1/20 0.38
BCHE P06276 1/20 0.38
RORC P51449 1/20 0.37
KCNA5 P22460 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37

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
SCHEMBL3863217 0.84 KDM4A (0.43) POLBLMNAALDH1A1MAPTKDM4A
SCHEMBL3862106 0.84 CNR2 (0.42) POLBLMNAALDH1A1MAPTKDM4A
SCHEMBL3861097 0.84 CYP2C19 (0.53) POLBLMNAALDH1A1MAPTKDM4A
SCHEMBL2121905 0.84 KDM4A (0.42) POLBLMNAALDH1A1KDM4ACYP1A2
SCHEMBL3861860 0.84 SMN1; SMN2 (0.44) POLBLMNAALDH1A1KDM4ACYP1A2
SCHEMBL3861821 0.83 HPGD (0.49) LMNAALDH1A1MAPTCYP1A2SMN1; SMN2
SCHEMBL3861455 0.82 ADORA2A (0.42) ALDH1A1MAPTKDM4AADORA2AADORA1
SCHEMBL4040617 0.82 CACNA1G (0.47) POLBLMNAALDH1A1KDM4ACYP1A2
SCHEMBL27612488 0.82 KCNA5 (0.42) POLBLMNAALDH1A1KDM4ACYP1A2
SCHEMBL2121025 0.81 SMN1; SMN2 (0.53) POLBLMNAALDH1A1MAPTKDM4A

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 8 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
CN-1617858-A Pyrimidine derivatives as modulators of insulin-like growth factor-1 receptor (igf-1) ASTRAZENECA AB (SE) 2005-05-18 CN 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 NSD2 2191/4885POLB 4749/4885LMNA 3223/4885
US-20120095011-A1 NOVEL COMPOUNDS C1R, TBXA2R, F12 NSD2 2191/4885POLB 4749/4885LMNA 3223/4885
US-20050054638-A1 Pyrimidine derivatives as modulators of insulin-like growth factor-1 receptor (igf-i) IGF1R, IGFBP1, INSR NSD2 3188/4885POLB 529/4885LMNA 3680/4885

“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.