SCHEMBL4943705

SCHEMBL4943705

NCCCc1ccc2ncsc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SMYD3 Q9H7B4 1/20 0.39
SLC6A4 P31645 1/20 0.38
TLR8 Q9NR97 3/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL14944865 0.90 DYRK1A (0.46) DYRK1ANPC1RAB9AKDM4EHKDC1
Hydrochloric Acid SCHEMBL20562963 0.88 DYRK1A (0.45) DYRK1ANPC1RAB9AKDM4EHKDC1
SCHEMBL360535 0.83 NPC1 (0.46) DYRK1ANPC1RAB9AKDM4EHKDC1
SCHEMBL9176879 0.83 NPC1 (0.46) DYRK1ANPC1RAB9AKDM4EHKDC1
SCHEMBL5534699 0.83 NPC1 (0.42) DYRK1ANPC1RAB9AKDM4EHKDC1
SCHEMBL1060868 0.82 DYRK1A (0.49) DYRK1ANPC1RAB9AKDM4EHKDC1
SCHEMBL27610369 0.82 CLK1 (0.49) DYRK1ANPC1RAB9AKDM4EHKDC1
SCHEMBL5542288 0.82 NPC1 (0.41) DYRK1ANPC1RAB9AKDM4EHKDC1
SCHEMBL29221351 0.81 CLK1 (0.51) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL5543747 0.81 NPC1 (0.41) DYRK1ANPC1RAB9AKDM4EHKDC1

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 4 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

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 DYRK1A 498/4885NPC1 4077/4885RAB9A 2517/4885

“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.