SCHEMBL5024045

SCHEMBL5024045

N=C(N)Nc1ncc(CN)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
AOC3 Q16853 2/20 0.37
CDK2 P24941 3/20 0.36
CCNE1 P24864 2/20 0.36
CDK5 Q00535 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 4/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 2/20 0.33
FDPS P14324 1/20 0.33
NPC1 O15118 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
Hydrochloric Acid SCHEMBL5024024 0.98 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10959901 0.86 AOC3 (0.37) AOC3CDK2CCNE1CDK5SMN1; SMN2
SCHEMBL10957607 0.80 AOC3 (0.33) AOC3CDK2CCNE1CDK5SMN1; SMN2
SCHEMBL18904164 0.77
SCHEMBL3129618 0.73
SCHEMBL5025495 0.72 MAPK1 (0.69) CDK2CCNE1CDK5SMN1; SMN2MEN1
SCHEMBL6883628 0.70 FFAR2 (0.49) CDK2CCNE1CDK5SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL21229051 0.69 PTGS2 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7144224 0.66 CDC7 (0.49) CDK2CCNE1SMN1; SMN2MEN1KMT2A
SCHEMBL10622016 0.66 HDAC8 (0.46) SMN1; SMN2MEN1KMT2ALMNAMAPT

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
US-20080221082-A1 Ligands of Integrin Receptors ABBOTT GMBH & CO. KG (DE) 2008-09-11 US disclosed
US-7105508-B1 Integrin receptors antagonists ABBOTT GMBH & CO. KG (DE) 2006-09-12 US disclosed
EP-1286673-B1 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2005-05-25 EP disclosed
CN-1374960-A novel integrin receptor antagonists BASF AG (DE) 2002-10-16 CN disclosed
EP-1202988-A2 NOVEL INTEGRIN RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 2002-05-08 EP disclosed
WO-2001010847-A2 NOVEL INTEGRIN RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 2001-02-15 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-20080221082-A1 Ligands of Integrin Receptors ITGB3, ITGAV, ITGA2B PSEN1 4091/4885PSEN2 3954/4885APH1B 1154/4885

“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.