SCHEMBL83960

SCHEMBL83960

CN1CCN(CCNC(=O)N(c2ccccc2)c2ncc3cn[nH]c3n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 3/20 0.40
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HTR1A P08908 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
BTK Q06187 1/20 0.38
POLR1A O95602 1/20 0.37
QPCT Q16769 1/20 0.37
IKBKE Q14164 1/20 0.37
TBK1 Q9UHD2 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
SCHEMBL84230 0.90 KDM4E (0.39) POLBTSHR
SCHEMBL84021 0.87 L3MBTL1 (0.43) POLBTSHR
SCHEMBL83959 0.87 BTK (0.38) KDM5BUSP2POLBTSHRHDAC2
SCHEMBL80712 0.84 PTGIR (0.42)
SCHEMBL5027077 0.84 HDAC6 (0.36) HDAC2HDAC8HDAC6QPCT
SCHEMBL80203 0.83 HDAC6 (0.34) POLBHDAC2HDAC8HDAC6
SCHEMBL5027708 0.82 HDAC6 (0.39) TSHRHDAC2HDAC8HDAC6QPCT
SCHEMBL79960 0.82 HDAC6 (0.34) POLBHDAC2HDAC8HDAC6QPCT
SCHEMBL83293 0.82 GSK3A (0.38) HDAC2HDAC8HDAC6OPRM1
SCHEMBL83622 0.81 CHRM4 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129371-B2 Thienopyrimidine and pyrazolopyrimidine compounds and their use as mTOR kinase and PI3 kinase inhibitors WYETH LLC (US) 2012-03-06 US disclosed
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-16 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 (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-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PIK3CD KDM5B 2134/4885USP2 4639/4885POLB 1679/4885

“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.