SCHEMBL4770205

SCHEMBL4770205

O=C1[CH]c2cccnc2N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GSK3B P49841 1/20 0.40
NPC1 O15118 2/20 0.36
TNKS2 Q9H2K2 3/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
MCL1 Q07820 1/20 0.35
TDP2 O95551 1/20 0.34
NSD2 O96028 1/20 0.34
ABL1 P00519 1/20 0.34
PLCG1 P19174 1/20 0.34
CES1 P23141 1/20 0.34
PAX8 Q06710 1/20 0.34
RIN1 Q13671 1/20 0.34
MEN1 O00255 1/20 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
SCHEMBL7647670 0.73 MAPT (0.39) CYP1A2SMN1; SMN2GSK3BNPC1TNKS2
SCHEMBL4773080 0.69 KMT2A (0.33) TDP2NSD2KMT2A
SCHEMBL29189527 0.68 CYP1A2 (0.37) CYP1A2SMN1; SMN2GSK3BNPC1TNKS2
SCHEMBL4778184 0.67 CYP1A2 (0.42) CYP1A2SMN1; SMN2GSK3BNPC1GAA
SCHEMBL4776601 0.67
SCHEMBL4262434 0.66 CYP1A2 (0.38) CYP1A2SMN1; SMN2GSK3BNPC1TNKS2
SCHEMBL309801 0.66 GSK3B (0.46) CYP1A2SMN1; SMN2GSK3BNPC1TNKS2
SCHEMBL5926128 0.65 GSK3B (0.35) CYP1A2SMN1; SMN2GSK3BNPC1TNKS2
SCHEMBL16187248 0.65 CYP1A2 (0.33) CYP1A2SMN1; SMN2GSK3BTNKS2GAA
SCHEMBL31095197 0.65 GAA (0.58) CYP1A2SMN1; SMN2GSK3BNPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1991531-A1 CINNOLINE AND QUINOXALINE DERIVATES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP claimed
US-20070287707-A1 Phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-12-13 US claimed
WO-2007100880-A1 CINNOLINE AND QUINAZOLINE DERIVATES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-09-07 WO claimed
EP-1005470-B1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2007-08-01 EP claimed
US-6294532-B1 TREATMENT OF A NUMBER OF DISEASE STATES INCLUDING CANCER AND RHEUMATOID ARTHRITIS. ZENECA LIMITED (GB) 2001-09-25 US claimed
EP-1005470-A1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 2000-06-07 EP claimed
WO-1999010349-A1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 1999-03-04 WO claimed
EP-1991531-A1 CINNOLINE AND QUINOXALINE DERIVATES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
US-20070287707-A1 Phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-12-13 US disclosed
WO-2007100880-A1 CINNOLINE AND QUINAZOLINE DERIVATES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-09-07 WO disclosed
EP-1005470-B1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2007-08-01 EP disclosed
US-6294532-B1 TREATMENT OF A NUMBER OF DISEASE STATES INCLUDING CANCER AND RHEUMATOID ARTHRITIS. ZENECA LIMITED (GB) 2001-09-25 US disclosed
EP-1005470-A1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 2000-06-07 EP disclosed
WO-1999010349-A1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 1999-03-04 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 (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-20070287707-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE7B, PDE10A CYP1A2 662/4885SMN1; SMN2 4346/4885GSK3B 491/4885

“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.