SCHEMBL3633134

SCHEMBL3633134

CN(C(=O)OC(C)(C)C)c1cc2ccccc2cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.43
TTK P33981 1/20 0.40
BRD4 O60885 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
USP30 Q70CQ3 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
PDK2 Q15119 1/20 0.35
NCEH1 Q6PIU2 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35

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
SCHEMBL4295593 0.84 NCEH1 (0.42) PAX8TTKNCEH1SSTR4
SCHEMBL31504563 0.83 KDM4E (0.41) PAX8TTKTRPM8GABRB1GABRB2
SCHEMBL23535828 0.83 KDM4E (0.41) PAX8TTKTRPM8GABRB1GABRB2
SCHEMBL30041261 0.82 TTK (0.37) PAX8TTKBRD4USP30KDM4E
SCHEMBL23535704 0.82 TTK (0.37) PAX8TTKBRD4USP30KDM4E
SCHEMBL30040742 0.82 TTK (0.37) PAX8TTKBRD4USP30KDM4E
SCHEMBL30907161 0.82 TTK (0.35) PAX8TTKCKS1BSKP1SKP2
SCHEMBL2163763 0.79 PAX8 (0.57) PAX8TTKBRD4KDM4E
SCHEMBL29242188 0.78 ATM (0.39) CKS1BSKP1SKP2HDAC1HDAC2
SCHEMBL29517495 0.77 PAX8 (0.43) PAX8BRD4CYP1A2NCEH1TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155751-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2010-02-24 EP disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 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 (1 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-20090099195-A1 Therapeutic Compounds 570 OPRL1, OPRK1, OPRM1 PAX8 2615/4885TTK 4543/4885BRD4 2807/4885

“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.