SCHEMBL12535705

SCHEMBL12535705

Cc1n[nH]c2nc[nH]c(=O)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 3/20 0.49
PARP1 P09874 5/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
ADORA2A P29274 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
XDH P47989 1/20 0.43
RAB9A P51151 1/20 0.43
BLM P54132 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
ACHE P22303 1/20 0.40
GDA Q9Y2T3 1/20 0.40
ACVR1 Q04771 1/20 0.40
DYRK1A Q13627 1/20 0.39
HPGD P15428 1/20 0.39
BCAT2 O15382 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL22292592 0.78 LMNA (0.41) PDPK1PARP1LMNATSHRADORA2A
SCHEMBL6907428 0.77 LMNA (0.43) PDPK1PARP1LMNATSHRADORA2A
SCHEMBL20213686 0.77 LMNA (0.43) PDPK1PARP1LMNATSHRADORA2A
SCHEMBL2902002 0.77 TSHR (0.43) PDPK1PARP1LMNATSHRADORA2A
SCHEMBL22488626 0.77 CYP1A2 (0.43) PDPK1PARP1LMNATSHRADORA2A
SCHEMBL28918223 0.74 DYRK1A (0.38) PDPK1PARP1LMNATSHRADORA2A
SCHEMBL18555761 0.73 BCAT2 (0.42) PDPK1PARP1LMNATSHRADORA2A
SCHEMBL30947487 0.73 DYRK1A (0.40) PDPK1PARP1LMNATSHRADORA2A
SCHEMBL7013187 0.71 CYP1A2 (0.56) PDPK1PARP1LMNATSHRADORA2A
SCHEMBL14190552 0.71 PDPK1 (0.76) PDPK1PARP1ACHEGDAACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3728264-B1 DIAZAINDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-12-01 EP disclosed
US-10544143-B2 4-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-01-28 US disclosed
US-20190185469-A1 4-AZAINDOLE COMPOUNDS SYNGENE INTERNATIONAL LIMITED (IN) 2019-06-20 US disclosed
US-7968554-B2 Pyrazolo[3,4-d]pyrimidine derivatives HOFFMAN-LA ROCHE INC. (US) 2011-06-28 US disclosed
US-7968554-B2 Pyrazolo[3,4-d]pyrimidine derivatives HOFFMAN-LA ROCHE INC. (US) 2011-06-28 US disclosed
EP-2188290-B1 PYRAZOLO[3,4-D]-PYRAMIDINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS HOFFMANN LA ROCHE (CH) 2011-06-08 EP disclosed
US-20090048274-A1 PYRAZOLO[3,4-d]PYRIMIDINE DERIVATIVES BARTKOVITZ DAVID JOSEPH 2009-02-19 US disclosed
US-20090048274-A1 PYRAZOLO[3,4-d]PYRIMIDINE DERIVATIVES BARTKOVITZ DAVID JOSEPH 2009-02-19 US disclosed
WO-2009021869-A1 PYRAZOLO[3,4-D]-PYRAMIDINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-19 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 (3 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-20090048274-A1 PYRAZOLO[3,4-d]PYRIMIDINE DERIVATIVES BRAF, RAF1, PRKDC PDPK1 63/4885PARP1 1300/4885LMNA 4341/4885
US-10544143-B2 4-azaindole compounds TLR7, TLR9, TLR5 PDPK1 1884/4885PARP1 728/4885LMNA 3331/4885
US-20190185469-A1 4-AZAINDOLE COMPOUNDS TLR7, TLR9, TLR5 PDPK1 1884/4885PARP1 728/4885LMNA 3331/4885

“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.