SCHEMBL83959

SCHEMBL83959

CN1CCN(CCNC(=O)N(c2ccccc2)c2ncc3c[nH]nc3n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.38
QPCT Q16769 1/20 0.37
USP2 O75604 1/20 0.37
KDM5B Q9UGL1 3/20 0.37
HTR4 Q13639 1/20 0.37
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
ACHE P22303 2/20 0.36
FAAH O00519 1/20 0.36
HTR1A P08908 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
DRD2 P14416 1/20 0.35
ADRA1A P35348 1/20 0.35
DRD3 P35462 1/20 0.35
POLR1A O95602 1/20 0.35
IKBKE Q14164 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
SCHEMBL84229 0.89 L3MBTL1 (0.40) POLBTSHR
SCHEMBL84020 0.87 L3MBTL1 (0.41) POLBTSHR
SCHEMBL83960 0.87 KDM5B (0.40) BTKQPCTUSP2KDM5BPOLB
SCHEMBL80711 0.84 PTGIR (0.45)
SCHEMBL5027073 0.84 CCNE2 (0.35) QPCTHDAC2HDAC8HDAC6
SCHEMBL80202 0.83 CCNE2 (0.34) QPCTPOLBHDAC2HDAC8HDAC6
SCHEMBL5027706 0.82 CCNE2 (0.38) QPCTTSHRHDAC2HDAC8HDAC6
SCHEMBL79959 0.82 PTGIR (0.33) QPCTPOLBHDAC2HDAC8HDAC6
SCHEMBL83292 0.82 GSK3A (0.36) OPRM1HDAC6
SCHEMBL83621 0.81 CHRM4 (0.42) BTKIKBKE

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 BTK 84/4885QPCT 2220/4885USP2 4639/4885

“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.