SCHEMBL5002124

SCHEMBL5002124

CC(Cl)(Cc1ccccc1)c1cccc(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.42
TAAR1 Q96RJ0 4/20 0.40
MAOB P27338 1/20 0.40
SLC6A2 P23975 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 2/20 0.38
CYP2D6 P10635 1/20 0.38
ATM Q13315 1/20 0.37
IDO1 P14902 2/20 0.36
AGXT P21549 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
RIPK1 Q13546 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CYP3A4 P08684 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL4995667 0.80 CYP1A2 (0.47) KIF11TAAR1MAOBSLC6A2CYP1A2
SCHEMBL38659794 0.79 CA1 (0.40) KIF11TAAR1CYP1A2CYP2C19LMNA
SCHEMBL15352176 0.74 ALDH1A1 (0.44) KIF11TAAR1LMNAIDO1AGXT
SCHEMBL5302824 0.73 TAAR1 (0.44) KIF11TAAR1MAOBSLC6A2CYP1A2
SCHEMBL22432183 0.72 ESR1 (0.50) KIF11MAOBCA1CA2CA5A
SCHEMBL11657645 0.72 KIF11 (0.46) KIF11MAOBCYP1A2LMNAIDO1
SCHEMBL11864924 0.72 KIF11 (0.46) KIF11MAOBCYP1A2LMNAIDO1
SCHEMBL8853831 0.72 KIF11 (0.44) KIF11TAAR1SLC6A2CYP1A2CYP2C9
SCHEMBL20290760 0.70 SMN1; SMN2 (0.49) KIF11TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL28663137 0.70 GLA (0.39) KIF11TAAR1MAOBCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101360714-A Novel 2-amino-heterocycles useful in the treatment of abeta-related pathologies ASTRAZENECA AB (SE) 2009-02-04 CN disclosed
US-20080293709-A1 Novel 2-Amino-Heterocycles Useful in the Treatment of Abeta-Related Pathologies ASTRAZENECA AB (SE) 2008-11-27 US disclosed
US-20080293709-A1 Novel 2-Amino-Heterocycles Useful in the Treatment of Abeta-Related Pathologies ASTRAZENECA AB (SE) 2008-11-27 US disclosed
US-20080293709-A1 Novel 2-Amino-Heterocycles Useful in the Treatment of Abeta-Related Pathologies ASTRAZENECA AB (SE) 2008-11-27 US disclosed
EP-1957462-A2 NOVEL 2-AMINO-HETEROCYCLES UDEFUL IN THE TREATMENT OF ABETA-RELATED PATHOLOGIES Astra Zeneca AB (SE) 2008-08-20 EP disclosed
WO-2007058583-A2 NOVEL 2-AMINO-HETEROCYCLES USEFUL IN THE TREATMENT OF ABETA-RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-05-24 WO disclosed
WO-2007058583-A2 NOVEL 2-AMINO-HETEROCYCLES USEFUL IN THE TREATMENT OF ABETA-RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-05-24 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-20080293709-A1 Novel 2-Amino-Heterocycles Useful in the Treatment of Abeta-Related Pathologies PSEN2, APP, PSEN1 KIF11 4801/4885TAAR1 310/4885MAOB 211/4885

“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.