SCHEMBL3861860

SCHEMBL3861860

CC(C)(C)OC(=O)NCc1cc(-c2ccccc2Br)no1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
CYP1A2 P05177 2/20 0.44
POLB P06746 2/20 0.43
KDM4A O75164 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 3/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.40
JAK2 O60674 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
IGF1R P08069 1/20 0.39
KCNA5 P22460 1/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC1 Q13547 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
MALT1 Q9UDY8 1/20 0.38
HDAC3 O15379 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
SCHEMBL3863217 0.87 KDM4A (0.43) SMN1; SMN2CYP1A2POLBKDM4AALDH1A1
SCHEMBL2121905 0.86 KDM4A (0.42) SMN1; SMN2CYP1A2POLBKDM4AALDH1A1
SCHEMBL3862106 0.86 CNR2 (0.42) SMN1; SMN2CYP1A2POLBKDM4AALDH1A1
SCHEMBL3861097 0.86 CYP2C19 (0.53) SMN1; SMN2CYP1A2POLBKDM4AALDH1A1
SCHEMBL2121025 0.86 SMN1; SMN2 (0.53) SMN1; SMN2CYP1A2POLBKDM4AALDH1A1
SCHEMBL3861821 0.85 HPGD (0.49) SMN1; SMN2CYP1A2ALDH1A1LMNAHPGD
SCHEMBL3861455 0.84 ADORA2A (0.42) KDM4AALDH1A1HPGDNPC1RAB9A
SCHEMBL4040617 0.84 CACNA1G (0.47) SMN1; SMN2CYP1A2POLBKDM4AALDH1A1
SCHEMBL27612488 0.84 KCNA5 (0.42) SMN1; SMN2CYP1A2POLBKDM4AALDH1A1
SCHEMBL2123513 0.84 NSD2 (0.43) SMN1; SMN2CYP1A2POLBKDM4AALDH1A1

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-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

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-20090131463-A1 NOVEL COMPOUNDS C1R, TBXA2R, F12 SMN1; SMN2 2090/4885CYP1A2 64/4885POLB 4749/4885
US-20050054638-A1 Pyrimidine derivatives as modulators of insulin-like growth factor-1 receptor (igf-i) IGF1R, IGFBP1, INSR SMN1; SMN2 1649/4885CYP1A2 2400/4885POLB 529/4885

“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.