SCHEMBL4946030

SCHEMBL4946030

CC(=O)c1ccc(CCC#N)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
HSD17B10 Q99714 1/20 0.53
LMNA P02545 2/20 0.48
MAPT P10636 3/20 0.45
ALDH1A1 P00352 1/20 0.45
PYCR1 P32322 1/20 0.45
MMP13 P45452 2/20 0.44
MMP9 P14780 1/20 0.44
MMP12 P39900 1/20 0.44
MEN1 O00255 1/20 0.44
MAOB P27338 4/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
HPGD P15428 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RAB9A P51151 1/20 0.41
MAOA P21397 1/20 0.40
ACACB O00763 1/20 0.40

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
SCHEMBL3767589 0.82 ALDH1A1 (0.50) KMT2AMAPTALDH1A1MMP13MMP9
SCHEMBL9818052 0.81 KMT2A (0.73) KMT2AHSD17B10LMNAMAPTPYCR1
SCHEMBL3455668 0.81 PLA2G10 (0.48) KMT2AHSD17B10MAPTALDH1A1MMP13
SCHEMBL11580792 0.81 MEN1 (0.44) KMT2AHSD17B10LMNAMAPTALDH1A1
SCHEMBL6716160 0.80 CYP4A11 (0.60) KMT2AHSD17B10MAPTALDH1A1MMP13
SCHEMBL9142779 0.80 KMT2A (0.59) KMT2AHSD17B10LMNAMAPTALDH1A1
SCHEMBL6459667 0.79 MEN1 (0.61) KMT2AMEN1MAOBMAOA
SCHEMBL8764230 0.78 MEN1 (0.64) KMT2AHSD17B10ALDH1A1MMP13MMP9
SCHEMBL11424105 0.77 HSD17B10 (0.74) KMT2AHSD17B10LMNAMAPTMMP13
SCHEMBL17457887 0.77 HSD17B10 (0.74) KMT2AHSD17B10LMNAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100439366-C Pyrido[2,3-d]pyrimidine-2,4-diamines as PDE2 inhibitors PFIZER PROD INC (US) 2008-12-03 CN disclosed
EP-1697356-B1 PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINES AS PDE 2 INHIBITORS PFIZER PROD INC (US) 2008-02-27 EP disclosed
US-20070135457-A1 Pyrido[2,3-d]pyrimidine-2,4-diamines as pde2 inhibitors PFIZER INC. 2007-06-14 US disclosed
CN-1894245-A Pyrido[2,3-d]pyrimidine-2,4-diamines as PDE2 inhibitors PFIZER PROD INC (US) 2007-01-10 CN disclosed
EP-1697356-A1 PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINES AS PDE 2 INHIBITORS Pfizer Products Incorporated (US) 2006-09-06 EP disclosed
WO-2005061497-A1 PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINES AS PDE 2 INHIBITORS PFIZER PRODUCTS INC. (US) 2005-07-07 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-20070135457-A1 Pyrido[2,3-d]pyrimidine-2,4-diamines as pde2 inhibitors PDE12, PDE2A, PDE3A KMT2A 1444/4885HSD17B10 2420/4885LMNA 2413/4885

“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.