SCHEMBL3869331

SCHEMBL3869331

Cc1nsc2nc([C@H](C(C)C)N(CCN)C(=O)c3ccc(Br)cc3)n(Cc3ccccc3)c(=O)c12

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 19/20 0.80
KIF23 Q02241 1/20 0.80
MAP1LC3B Q9GZQ8 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
KCNH2 Q12809 1/20 0.53

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
SCHEMBL3865506 1.00 KIF11 (0.80) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL3865504 1.00 KIF11 (0.80) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
Hydrochloric Acid SCHEMBL3867559 0.99 KIF11 (0.79) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
Hydrochloric Acid SCHEMBL3867558 0.98 KIF11 (0.78) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL3865042 0.95 KIF11 (0.88) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL3865044 0.95 KIF11 (0.88) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL3869606 0.95 KIF11 (0.88) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
Hydrochloric Acid SCHEMBL3868959 0.95 KIF11 (0.87) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
Hydrochloric Acid SCHEMBL3868956 0.94 KIF11 (0.86) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL3863629 0.94 KIF11 (0.91) KIF11KIF23MAP1LC3BCYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287376-A1 Ketolide Derivatives as Antibacterial Agents Salman, Mohammad (US) 2008-11-20 US claimed
US-20090099210-A1 ENANTIOMERS OF SELECTED FUSED HETEROCYCLICS AND USES THEREOF ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-7498333-B2 Enantiomers of selected fused heterocyclics and uses thereof ASTRAZENECA AB (SE) 2009-03-03 US disclosed
US-20080293744-A1 Enantiomers of Selected Fused Pyrimidones and Uses in the Treatment and Prevention of Cancer ASTRAZENECA AB (SE) 2008-11-27 US disclosed
US-20080287376-A1 Ketolide Derivatives as Antibacterial Agents Salman, Mohammad (US) 2008-11-20 US disclosed
US-20080153854-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2008-06-26 US disclosed
US-20060063751-A1 Novel fused heterocycles and uses thereof ASTRAZENECA AB (SE) 2006-03-23 US disclosed
US-20060041129-A1 Enantiomers of selected fused heterocyclics and uses thereof ASTRAZENECA AB (SE) 2006-02-23 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 (6 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-20060063751-A1 Novel fused heterocycles and uses thereof RB1, CDK19, PRMT9 KIF11 1978/4885KIF23 2194/4885MAP1LC3B 3998/4885
US-20080153854-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF RB1, CDK19, PRMT9 KIF11 1978/4885KIF23 2194/4885MAP1LC3B 3998/4885
US-20080293744-A1 Enantiomers of Selected Fused Pyrimidones and Uses in the Treatment and Prevention of Cancer DHFR, DPYD, TYMS KIF11 3865/4885KIF23 3813/4885MAP1LC3B 4356/4885
US-20080287376-A1 Ketolide Derivatives as Antibacterial Agents MGAM, MGAM2, HEXA KIF11 813/4885KIF23 1199/4885MAP1LC3B 236/4885
US-20090099210-A1 ENANTIOMERS OF SELECTED FUSED HETEROCYCLICS AND USES THEREOF CYP11B2, HCCS, CYP11B1 KIF11 3171/4885KIF23 3405/4885MAP1LC3B 3465/4885
US-20060041129-A1 Enantiomers of selected fused heterocyclics and uses thereof CYP11B2, HCCS, CYP11B1 KIF11 3171/4885KIF23 3405/4885MAP1LC3B 3465/4885

“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.