SCHEMBL84229

SCHEMBL84229

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.37
SIGMAR1 Q99720 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
ALDH1A1 P00352 3/20 0.35
NAMPT P43490 1/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 2/20 0.35
MAPK1 P28482 2/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
TSHR P16473 3/20 0.34
LMNA P02545 1/20 0.34
AVPR2 P30518 1/20 0.34
AVPR1A P37288 1/20 0.34
HPGD P15428 2/20 0.34

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
SCHEMBL84020 0.91 L3MBTL1 (0.41) L3MBTL1POLBTDP1KDM4EALDH1A1
SCHEMBL83959 0.89 BTK (0.38) POLBTSHR
SCHEMBL84230 0.87 KDM4E (0.39) L3MBTL1POLBTDP1KDM4EHTT
SCHEMBL80711 0.83 PTGIR (0.45)
SCHEMBL5027073 0.83 CCNE2 (0.35) KDM4E
SCHEMBL80202 0.82 CCNE2 (0.34) POLBHTTALDH1A1KMT2AMEN1
SCHEMBL5027706 0.81 CCNE2 (0.38) KDM4EHTTALDH1A1TSHRNPC1
SCHEMBL79959 0.81 PTGIR (0.33) POLBHTTALDH1A1KMT2ANPC1
SCHEMBL83292 0.81 GSK3A (0.36) MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL83621 0.80 CHRM4 (0.42) ALDH1A1KMT2AMAPK1MEN1

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 L3MBTL1 4609/4885POLB 1679/4885TDP1 1345/4885

“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.