SCHEMBL4944552

SCHEMBL4944552

N#Cc1ccc(CCCN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
ADRA1D P25100 1/20 0.56
ADRA1A P35348 1/20 0.56
ADRA1B P35368 1/20 0.56
ALDH1A1 P00352 1/20 0.49
ALDH2 P05091 1/20 0.49
PKM P14618 1/20 0.49
ALDH3A1 P30838 1/20 0.49
CASP3 P42574 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP1B1 Q16678 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA9 Q16790 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
SCHEMBL10926815 0.98 TDP1 (0.59) TDP1L3MBTL1ADRA1DADRA1AADRA1B
SCHEMBL10928019 0.92 NR1H3 (0.53) TDP1L3MBTL1ADRA1DADRA1AADRA1B
SCHEMBL10928016 0.92 NR1H3 (0.53) TDP1L3MBTL1ADRA1DADRA1AADRA1B
SCHEMBL32341475 0.91 ADRA1D (0.62) TDP1L3MBTL1ADRA1DADRA1AADRA1B
SCHEMBL2519210 0.91 ADRA1D (0.62) TDP1L3MBTL1ADRA1DADRA1AADRA1B
SCHEMBL13510914 0.90 TDP1 (0.65) TDP1L3MBTL1ADRA1DADRA1AADRA1B
SCHEMBL10925497 0.83 ADRA1D (0.67) ADRA1DADRA1AADRA1BCASP3CA1
SCHEMBL30371663 0.82 TDP1 (0.86) TDP1L3MBTL1ALDH1A1ALDH2PKM
SCHEMBL45050 0.82 TDP1 (0.86) TDP1L3MBTL1ALDH1A1ALDH2PKM
SCHEMBL236787 0.81 TDP1 (0.52) TDP1L3MBTL1ALDH1A1ALDH2PKM

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
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
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
US-4536391-A REACTING A PLASMIN HEAVY CHAIN WITH UROKINASE IN THE PRESENCE OF A COUPLING AGENT OTSUKA PHARMACEUTICAL CO. (JP) 1985-08-20 US disclosed
EP-0109653-A2 Process for preparing urokinase complex OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-05-30 EP 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 TDP1 79/4885L3MBTL1 4806/4885ADRA1D 193/4885

“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.