SCHEMBL5025495

SCHEMBL5025495

N=C(N)Nc1ncc(CN2C(=O)c3ccccc3C2=O)s1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.69
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
OGA O60502 6/20 0.41
RAB9A P51151 2/20 0.40
PKM P14618 1/20 0.40
NAMPT P43490 1/20 0.39
GRM5 P41594 1/20 0.39
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CDK5 Q00535 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL5653134 0.76 MAPK1 (0.55) MAPK1ALDH1A1MEN1KMT2ATSHR
SCHEMBL27583020 0.75 MAPK1 (0.40) MAPK1OGACCNE1CDK2CDK5
SCHEMBL25238058 0.74 MAPK1 (0.56) MAPK1ALDH1A1MEN1KMT2ATSHR
SCHEMBL7666711 0.74 MAPK1 (0.56) MAPK1ALDH1A1MEN1KMT2ATSHR
SCHEMBL31202611 0.74 MAPK1 (0.56) MAPK1ALDH1A1MEN1KMT2ATSHR
SCHEMBL4651618 0.73 MAPK1 (0.59) MAPK1ALDH1A1MEN1KMT2ATSHR
SCHEMBL10959901 0.72 AOC3 (0.37) MAPK1ALDH1A1MEN1KMT2APOLB
SCHEMBL5024045 0.72 PSEN1 (0.39) MAPK1ALDH1A1MEN1KMT2APOLB
SCHEMBL28685887 0.70 CYP11B1 (0.53) MAPK1ALDH1A1MEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL5024024 0.70 PSEN1 (0.39) MAPK1ALDH1A1MEN1KMT2APOLB

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 3 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

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 MAPK1 3384/4885ALDH1A1 2222/4885MEN1 4463/4885

“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.