SCHEMBL54839

SCHEMBL54839

CN(C)NC(=O)c1ccc(N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
POLB P06746 3/20 0.53
MEN1 O00255 1/20 0.53
PKM P14618 1/20 0.53
APEX1 P27695 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 2/20 0.49
SLC22A2 O15244 1/20 0.49
SLC22A1 O15245 1/20 0.49
TSHR P16473 1/20 0.49
ACHE P22303 1/20 0.49
CYP2C19 P33261 1/20 0.49
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
HIF1A Q16665 1/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48

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
SCHEMBL6800377 0.81 GFER (0.54) LMNATDP1POLBMEN1PKM
SCHEMBL13182691 0.81 ALDH1A1 (0.61) LMNATDP1POLBMEN1KMT2A
SCHEMBL13006679 0.80 HPGD (0.55) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1
N',N'-Dimethylbenzohydrazide SCHEMBL952727 0.78 POLB (0.56) LMNATDP1POLBPKMKMT2A
N',N'-Dimethylbenzohydrazide SCHEMBL27406776 0.77 POLB (0.55) LMNATDP1POLBMEN1PKM
SCHEMBL21164232 0.76 CES2 (0.55) PTGS1NPC1RAB9A
SCHEMBL158878 0.76 HDAC2 (0.64) LMNATDP1POLBMEN1PKM
SCHEMBL2996638 0.75 ALDH1A1 (0.59) LMNAALDH1A1TSHRCYP2C19KDM4E
SCHEMBL22635864 0.75 HDAC1 (0.39) TDP1POLBKMT2ASMN1; SMN2ALDH1A1
SCHEMBL23918991 0.75 LMNA (0.64) LMNATDP1POLBMEN1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10603387-B2 Duocarmycin ADCs showing improved in vivo antitumor activity SYNTHON BIOPHARMACEUTICALS B.V. (NL) 2020-03-31 US disclosed
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
EP-2212333-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS Wyeth LLC (US) 2010-08-04 EP disclosed
WO-2009052145-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-23 WO 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 (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-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PIK3CD LMNA 4796/4885TDP1 1345/4885POLB 1679/4885
US-10603387-B2 Duocarmycin ADCs showing improved in vivo antitumor activity CD38, BRCA1, TP53 LMNA 1866/4885TDP1 2267/4885POLB 2848/4885

“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.