SCHEMBL5129235

SCHEMBL5129235

COCCOc1cc(N)cc(N2CCOCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
EPHB4 P54760 1/20 0.42
P2RY12 Q9H244 1/20 0.41
SYK P43405 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LGMN Q99538 1/20 0.40
APP P05067 1/20 0.40
PRKDC P78527 1/20 0.40
AGXT P21549 1/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL14032547 0.84 MAPT (0.46) KDM1AEPHB4P2RY12SYKCHRNB2
SCHEMBL14087751 0.84 BRAF (0.47) ALDH1A1MAPTSMN1; SMN2LGMNMEN1
SCHEMBL5123031 0.82 PRKDC (0.51) ALDH1A1MAPTTSHRLGMNAPP
SCHEMBL29833111 0.82 PRKDC (0.51) ALDH1A1MAPTTSHRLGMNAPP
SCHEMBL4434501 0.78 MAPT (0.49) ALDH1A1MAPTSMN1; SMN2MEN1HPGD
SCHEMBL24398529 0.77 ALDH1A1 (0.51) KDM1AALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL4441321 0.77 PRKDC (0.50) ALDH1A1MAPTTSHRSMN1; SMN2PRKDC
SCHEMBL26087445 0.77 LGMN (0.52) KDM1AFFAR4P2RY12ALDH1A1TSHR
SCHEMBL4436536 0.75 AGXT (0.48) ALDH1A1MAPTSMN1; SMN2LGMNPRKDC
SCHEMBL13723948 0.75 GAA (0.54) KDM1AP2RY12ALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-10-02 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-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 EPHB4, EPHB1, NME2 KDM1A 2973/4885FFAR4 3544/4885EPHB4 1/4885

“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.