SCHEMBL4945959

SCHEMBL4945959

COc1ccc(CN)c(Cl)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.46
MAOB P27338 2/20 0.46
SLC2A1 P11166 1/20 0.46
AOC3 Q16853 1/20 0.45
PNMT P11086 2/20 0.41
TAAR1 Q96RJ0 1/20 0.40
MAOA P21397 1/20 0.40
KDM1B Q8NB78 1/20 0.40
PDCD1LG2 Q9BQ51 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CHRM2 P08172 1/20 0.38
SLC6A4 P31645 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 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
SCHEMBL5712533 0.85 TAAR1 (0.50) KDM1AMAOBSLC2A1AOC3TAAR1
Hydrochloric Acid SCHEMBL10890612 0.84 SLC2A1 (0.52) KDM1AMAOBSLC2A1AOC3TAAR1
Bromide SCHEMBL5712633 0.84 SLC2A1 (0.49) KDM1AMAOBSLC2A1AOC3TAAR1
SCHEMBL14370492 0.82 KDM1A (0.47) KDM1AMAOBSLC2A1AOC3MAOA
SCHEMBL165313 0.82 AOC3 (0.58) AOC3TAAR1POLBSMN1; SMN2CYP1A2
SCHEMBL3025957 0.81 KDM1A (0.46) KDM1AMAOBSLC2A1AOC3MAOA
SCHEMBL698659 0.81 KDM1A (0.46) KDM1AMAOBSLC2A1AOC3MAOA
Hydrochloric Acid SCHEMBL2076075 0.80 AOC3 (0.56) AOC3POLBSMN1; SMN2CYP1A2CHRM2
SCHEMBL12844281 0.79 SLC2A1 (0.51) KDM1AMAOBSLC2A1AOC3MAOA
SCHEMBL11616930 0.79 HTR2A (0.53) TAAR1HTR2A

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 KDM1A 1310/4885MAOB 81/4885SLC2A1 2177/4885

“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.