SCHEMBL3728353

SCHEMBL3728353

COc1cc(N2CCSCC2)ccc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 3/20 0.63
ALDH1A1 P00352 7/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP3A4 P08684 2/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 4/20 0.45
HTT P42858 3/20 0.45
GAA P10253 2/20 0.45
MAPK1 P28482 2/20 0.45
KDM4E B2RXH2 1/20 0.45
RECQL P46063 1/20 0.45
PTK2B Q14289 1/20 0.45
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
S100B P04271 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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 SCHEMBL10626582 0.98 LGMN (0.61) LGMNALDH1A1TDP1CYP3A4TSHR
SCHEMBL15358736 0.88 ALDH1A1 (0.53) LGMNALDH1A1TDP1CYP3A4TSHR
SCHEMBL3726389 0.87 LGMN (0.49) LGMNALDH1A1TDP1CYP3A4TSHR
SCHEMBL3726491 0.87 LGMN (0.58) LGMNALDH1A1TDP1CYP3A4MAPT
SCHEMBL2974453 0.85 ALDH1A1 (0.59) ALDH1A1TDP1CYP3A4TSHRHSD17B10
SCHEMBL30340649 0.83 ALDH1A1 (0.59) ALDH1A1TDP1CYP3A4TSHRHSD17B10
SCHEMBL10128598 0.83 ALDH1A1 (0.59) ALDH1A1TDP1CYP3A4TSHRHSD17B10
SCHEMBL438444 0.82 MAPT (0.63) ALDH1A1TDP1CYP3A4TSHRHSD17B10
SCHEMBL29446146 0.82 MAPT (0.63) ALDH1A1TDP1CYP3A4TSHRHSD17B10
SCHEMBL10154835 0.82 ADRB1 (0.57) MAPTRECQL

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
EP-2435436-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-07-30 EP disclosed
EP-1713806-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2013-05-08 EP disclosed
US-8354422-B2 Pyrimidine inhibitors of kinase activity ABBOTT LABORATORIES INC. (US) 2013-01-15 US disclosed
WO-2012167415-A1 PYRIMIDOPYRIMIDONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF 中国科学院广州生物医药与健康研究院 (CN) 2012-12-13 WO disclosed
WO-2010138576-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
US-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity ABBOTT LABORATORIES (US) 2010-12-02 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-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity IGF1R, CDK2, TK1 LGMN 4852/4885ALDH1A1 1481/4885TDP1 309/4885

“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.