SCHEMBL4946098

SCHEMBL4946098

COc1cc(Cc2ccnc3nc(NCCc4ccccn4)nc(N)c23)cc(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
DHFR P00374 2/20 0.43
ACP1 P24666 1/20 0.41
IGF1R P08069 1/20 0.41
FGFR1 P11362 1/20 0.41
KDR P35968 1/20 0.41
PGK1 P00558 1/20 0.40
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
APP P05067 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ADORA2B P29275 1/20 0.37
OGA O60502 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL4942378 0.89 DHFR (0.48) DHFRFGFR1KDRADORA3ADORA2A
SCHEMBL4947297 0.86 ADORA3 (0.46) DHFRAPPADORA3ADORA2AADORA1
SCHEMBL4940417 0.85 DHFR (0.45) DHFRACP1PGK1ADORA3ADORA2A
SCHEMBL4940377 0.84 DHFR (0.45) DHFRADORA3ADORA2AADORA1ADORA2B
SCHEMBL4945992 0.83 ADORA2A (0.45) DHFRHTR2CHTR7ADORA3ADORA2A
SCHEMBL4946031 0.76 ADORA2A (0.51) DHFRAPPADORA3ADORA2AADORA1
SCHEMBL4947050 0.73 AURKA (0.51) DHFRAPPADORA3ADORA2AADORA1
SCHEMBL4946126 0.73 ALDH1A1 (0.44) DHFRHTR7ADORA3ADORA2AADORA1
SCHEMBL4939710 0.73 ADORA2A (0.45) DHFRAPPADORA3ADORA2AADORA1
SCHEMBL4945533 0.72 ADORA2A (0.45) DHFRAPPADORA3ADORA2AADORA1

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 2 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

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 NPC1 4077/4885RAB9A 2517/4885DHFR 130/4885

“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.