SCHEMBL84269

SCHEMBL84269

CCc1c(O)ccc(C#N)c1N

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 7/20 0.45
SNCA P37840 1/20 0.34
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
BRCA1 P38398 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AR P10275 2/20 0.32
UPP1 Q16831 1/20 0.32
CYP2A6 P11509 1/20 0.31
TRPA1 O75762 1/20 0.31

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
SCHEMBL6639638 0.79 ALDH1A1 (0.39) USP7KDM4EALDH1A1USP2MEN1
SCHEMBL6470185 0.78 TRPA1 (0.39) USP7KDM4EALDH1A1USP2MAPT
SCHEMBL998935 0.75 AR (0.38) USP7SNCAKDM4EALDH1A1USP2
SCHEMBL29211012 0.74 ESR1 (0.39) KDM4EALDH1A1USP2MEN1MAPT
SCHEMBL2138475 0.73 TSHR (0.39) USP7SNCAALDH1A1HPGDAR
SCHEMBL30478808 0.72 PDE10A (0.45) KDM4EALDH1A1ALOX15HSD17B10AR
SCHEMBL652985 0.72 BACE1 (0.40) TRPA1
SCHEMBL29178121 0.71 ESR1 (0.37) USP7TRPA1
SCHEMBL21753704 0.71 ALDH1A1 (0.37) USP7KDM4EALDH1A1USP2MEN1
SCHEMBL14041082 0.70 ALDH1A1 (0.44) KDM4EALDH1A1USP2MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122892-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-05-17 US disclosed
US-8129403-B2 e.g. 2-[9-(5-Cyclopropyl-1H-pyrazol-3-yl)-6-methyl-9H-purin-2-ylamino]-2-(4-fluorophenyl)ethanol; tropomyosin-related kinases (Trk's) inhibitor; anticarcinoganic agent; solid tumors and leukemia ASTRAZENECA AB (SE) 2012-03-06 US disclosed
US-20090227648-A1 PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER ASTRAZENECA AB 2009-09-10 US disclosed
US-20080176872-A1 Chemical Compounds ASTRAZENECA AB (SE) 2008-07-24 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-20080176872-A1 Chemical Compounds TP53, XPOT, KRAS USP7 3675/4885SNCA 4479/4885KDM4E 1983/4885
US-20120122892-A1 CHEMICAL COMPOUNDS TP53, XPOT, KRAS USP7 3772/4885SNCA 4433/4885KDM4E 2067/4885
US-20090227648-A1 PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER TP53, PDK2, PDK1 USP7 3811/4885SNCA 4753/4885KDM4E 2969/4885

“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.