SCHEMBL4946908

SCHEMBL4946908

CC1(c2cccc(I)c2)OCCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
HCAR3 P49019 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
PABPC1 P11940 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BUB1 O43683 1/20 0.35
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
CYP1A2 P05177 1/20 0.31
SIGMAR1 Q99720 2/20 0.31
CXCR3 P49682 2/20 0.31

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
SCHEMBL3786132 0.78 SMN1; SMN2 (0.55) TSHRHCAR2SMN1; SMN2LMNAMAPT
SCHEMBL13897208 0.77 SLC6A3 (0.48) TSHRHCAR3HCAR2SMN1; SMN2LMNA
SCHEMBL13006980 0.77 TSHR (0.41) TSHRSMN1; SMN2LMNAMAPTGAA
SCHEMBL29866208 0.77 TSHR (0.41) TSHRSMN1; SMN2LMNAMAPTGAA
SCHEMBL12823209 0.77 TSHR (0.41) TSHRSMN1; SMN2LMNAMAPTGAA
SCHEMBL855229 0.77 CHRNA1 (0.48) TSHRHCAR3HCAR2SMN1; SMN2LMNA
SCHEMBL29841314 0.77 TSHR (0.41) TSHRSMN1; SMN2LMNAMAPTGAA
SCHEMBL5339706 0.77 OPRD1 (0.49) TSHRSMN1; SMN2LMNAMAPTGAA
SCHEMBL3212086 0.77 TSHR (0.41) TSHRSMN1; SMN2LMNAMAPTGAA
SCHEMBL8090550 0.76 TSHR (0.43) TSHRSMN1; SMN2LMNAMAPTGAA

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 TSHR 3198/4885HCAR3 2341/4885HCAR2 880/4885

“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.