SCHEMBL1695286

SCHEMBL1695286

Cc1cc(C2CCCCC2)c(CN)c(=O)n1OC(=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX12 P18054 1/20 0.33
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KCNH2 Q12809 2/20 0.32
PSMB8 P28062 1/20 0.30

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
SCHEMBL22470862 0.80
Trifluoroacetic Acid SCHEMBL1695283 0.69 EZH2 (0.37) CHEK1PTGDR2KDM4EMAPK1SMN1; SMN2
SCHEMBL1695129 0.62 CHEK1 (0.39) CHEK1KDM4EMAPK1SMN1; SMN2LMNA
SCHEMBL28789805 0.59 THRA (0.47) PTGDR2KDM4E
SCHEMBL2591769 0.58 KDM4E (0.36) CHEK1KDM4E
SCHEMBL29196706 0.56 NR1I2 (0.36) CHEK1PTGDR2KDM4EMAPK1SMN1; SMN2
SCHEMBL3758554 0.55 PTGDR2 (0.52) PTGDR2LMNACYP1A2KCNH2
SCHEMBL5189045 0.55 PTGDR2 (0.42) PTGDR2KDM4ESMN1; SMN2
SCHEMBL11457814 0.55 KDM4E (0.43) PTGDR2KDM4E
SCHEMBL4965313 0.55 KMT2A (0.36) PTGDR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073924-B2 Azaindazoles GLAXOSMITHKLINE LLC (US) 2015-07-07 US disclosed
EP-2566479-B1 AZAINDAZOLES GLAXOSMITHKLINE LLC (US) 2014-12-24 EP disclosed
US-20140343056-A1 AZAINDAZOLES GLAXOSMITHKLINE LLC (US) 2014-11-20 US disclosed
US-8637509-B2 Azaindazoles GLAXOSMITHKLINE LLC (US) 2014-01-28 US disclosed
EP-2566479-A1 AZAINDAZOLES GlaxoSmithKline LLC (US) 2013-03-13 EP disclosed
US-20130059849-A1 AZAINDAZOLES GLAXOSMITHKLINE LLC 2013-03-07 US disclosed
WO-2012005805-A1 AZAINDAZOLES GLAXOSMITHKLINE LLC (US) 2012-01-12 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 (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-20140343056-A1 AZAINDAZOLES AZI2, MKI67, DNMT1 CHEK1 466/4885PTGDR2 1445/4885KDM4E 682/4885
US-20130059849-A1 AZAINDAZOLES AZI2, MKI67, DNMT1 CHEK1 466/4885PTGDR2 1445/4885KDM4E 682/4885

“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.