SCHEMBL7739751

SCHEMBL7739751

CCN(CC)c1ccncn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.47
KMT2A Q03164 1/20 0.43
GSK3B P49841 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
CSNK1D P48730 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP2D6 P10635 1/20 0.36
MYC P01106 2/20 0.33
P2RX7 Q99572 1/20 0.33
FAAH O00519 1/20 0.33
AOC3 Q16853 1/20 0.33
LATS1 O95835 1/20 0.33
LATS2 Q9NRM7 1/20 0.33

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
SCHEMBL30775425 0.88 SLC6A2 (0.47) GBA1KMT2AGSK3BSMN1; SMN2L3MBTL1
SCHEMBL13701626 0.83 SLC6A2 (0.49) GSK3BSLC6A2HSP90AA1CYP2D6FAAH
SCHEMBL14344891 0.81 SLC6A2 (0.43) KMT2AGSK3BSLC6A2HSP90AA1CYP2D6
SCHEMBL30775420 0.81 SLC6A2 (0.43) KMT2AGSK3BSLC6A2HSP90AA1CYP2D6
SCHEMBL18951748 0.80 SLC6A2 (0.36) GBA1KMT2AGSK3BSMN1; SMN2L3MBTL1
SCHEMBL28261684 0.79 SLC6A2 (0.39) KMT2AGSK3BSLC6A2HSP90AA1CYP2D6
SCHEMBL4802096 0.79 SLC6A2 (0.43) GSK3BSMN1; SMN2L3MBTL1SLC6A2HSP90AA1
SCHEMBL14189412 0.78 TAAR1 (0.57)
SCHEMBL632763 0.78 GSK3B (0.35) GBA1KMT2AGSK3BSLC6A2
SCHEMBL19232446 0.77 GSK3B (0.34) GBA1GSK3BSMN1; SMN2L3MBTL1SLC6A2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0730451-A4 BLOCKING UTILIZATION OF TETRAHYDROBIOPTERIN TO BLOCK INDUCTION OF NITRIC OXIDE SYNTHESIS CORNELL RES FOUNDATION INC (US) 2001-11-28 EP claimed
EP-0730451-A1 BLOCKING UTILIZATION OF TETRAHYDROBIOPTERIN TO BLOCK INDUCTION OF NITRIC OXIDE SYNTHESIS CORNELL RESEARCH FOUNDATION, INC. (US) 1996-09-11 EP claimed
WO-1995014468-A1 BLOCKING UTILIZATION OF TETRAHYDROBIOPTERIN TO BLOCK INDUCTION OF NITRIC OXIDE SYNTHESIS CORNELL RESEARCH FOUNDATION INC. (US) 1995-06-01 WO claimed
EP-4105207-A1 QUINOLYL PHOSPHINE OXIDE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2022-12-21 EP disclosed
CN-102174024-B 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS INC 2015-02-11 CN disclosed
CN-102174024-A 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS INC 2011-09-07 CN disclosed
CN-1625400-B 2, 4-pyrimidinediamine compounds and uses thereof RIGEL PHARMACEUTICALS INC 2011-04-13 CN disclosed
US-20090226411-A1 CHEMICAL DERIVATIVES AND THEIR APPLICATION AS ANTITELOMERASE AGENTS AVENTIS PHARMA S.A. (FR) 2009-09-10 US disclosed
US-7482352-B2 Chemical derivatives and their application as antitelomerase agents AVENTIS PHARMA S.A. (FR) 2009-01-27 US disclosed
CN-1678321-A Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS INC (US) 2005-10-05 CN 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-20090226411-A1 CHEMICAL DERIVATIVES AND THEIR APPLICATION AS ANTITELOMERASE AGENTS DPYD, NTPCR, NME1 GBA1 1928/4885KMT2A 2886/4885GSK3B 2440/4885

“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.