SCHEMBL9933161

SCHEMBL9933161

O=C1Cc2cccnc2CN1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.38
PDK2 Q15119 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
KDR P35968 4/20 0.37
TDP2 O95551 3/20 0.36
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36
CASP9 P55211 1/20 0.36
CASP6 P55212 1/20 0.36
CASP8 Q14790 1/20 0.36
MAP3K14 Q99558 1/20 0.36
TIPARP Q7Z3E1 1/20 0.35
SRC P12931 1/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
ABL1 P00519 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL299664 0.85 PDE3B (0.41) AHRPDK2PDE3BPDE3AKDR
SCHEMBL7424121 0.74
SCHEMBL30701903 0.74 CES1 (0.39) PDE3BPDE3ATDP2TIPARPABL1
SCHEMBL20206843 0.74 CYP1A2 (0.52) PDE3BPDE3ATDP2TIPARPABL1
SCHEMBL89023 0.73 ALOX15 (0.56) AHRPDK2TDP2CASP3CASP7
6,7-Dihydro-5H-Pyrrolo[3,4-B]Pyridine SCHEMBL29617701 0.71
6,7-Dihydro-5H-Pyrrolo[3,4-B]Pyridine SCHEMBL103669 0.71
SCHEMBL18795978 0.71 ALOX15 (0.38) AHRPDK2PDE3BPDE3AKDR
SCHEMBL578594 0.71 GSK3B (0.53) AHRPDK2PDE3BPDE3AKDR
SCHEMBL29499281 0.71 GSK3B (0.53) AHRPDK2PDE3BPDE3AKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3181133-B1 NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS PFIZER (US) 2019-07-24 EP disclosed
EP-3181133-A1 NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS Pfizer Inc (US) 2017-06-21 EP disclosed
EP-2654750-B1 NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS PFIZER (US) 2017-03-08 EP disclosed
CN-103260622-B Novel fused pyridine compounds as casein kinase inhibitors PFIZER 2015-05-13 CN disclosed
EP-2654750-A1 NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS Pfizer Inc (US) 2013-10-30 EP disclosed
US-8536164-B2 Fused pyridine compounds as casein kinase inhibitors PFIZER INC. (US) 2013-09-17 US disclosed
WO-2012085721-A1 NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS PFIZER INC. (US) 2012-06-28 WO disclosed
US-20120157440-A1 NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS PFIZER INC 2012-06-21 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-20120157440-A1 NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS CSNK1A1, CSNK1A1L, CSNK1E AHR 3164/4885PDK2 399/4885PDE3B 1289/4885

“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.