SCHEMBL3369370

SCHEMBL3369370

N#CCc1cc(F)c(Cl)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 5/20 0.44
KDM1A O60341 4/20 0.34
KDM1B Q8NB78 3/20 0.34
CYP2A6 P11509 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
HTR2A P28223 1/20 0.31
SLC6A4 P31645 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL3365689 0.93 CSNK2A1 (0.44) CSNK2A1CYP2A6GPR84
SCHEMBL30408342 0.85 CSNK2A1 (0.44) CSNK2A1KDM1AKDM1BCYP2A6KCNH2
SCHEMBL14810674 0.85 CSNK2A1 (0.44) CSNK2A1KDM1AKDM1BCYP2A6KCNH2
SCHEMBL3366188 0.84 CSNK2A1 (0.42) CSNK2A1
SCHEMBL29257625 0.82 CSNK2A1 (0.37) CSNK2A1KDM1AKDM1BCYP2A6GPR84
SCHEMBL696046 0.82 CSNK2A1 (0.37) CSNK2A1KDM1AKDM1BCYP2A6GPR84
SCHEMBL24384654 0.78 CSNK2A1 (0.44) CSNK2A1KDM1AKDM1BCYP2A6
SCHEMBL13405938 0.77 CSNK2A1 (0.48) CSNK2A1CYP2A6
SCHEMBL3363763 0.76 KDM1A (0.38) KDM1AKDM1BGPR84HTR2ASLC6A4
SCHEMBL18932097 0.75 CSNK2A1 (0.47) CSNK2A1CYP2A6

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
US-8324235-B2 Heterocyclic spiro-compounds NOVARTIS AG (CH) 2012-12-04 US disclosed
EP-2134720-B1 HETEROCYCLIC SPIRO-COMPOUNDS NOVARTIS AG (CH) 2010-10-13 EP disclosed
US-20100144774-A1 HETEROCYCLIC SPIRO-COMPOUNDS NOVARTIS AG (CH) 2010-06-10 US disclosed
CN-101711252-A heterocyclic spiro-compounds NOVARTIS AG 2010-05-19 CN disclosed
EP-2134720-A1 HETEROCYCLIC SPIRO-COMPOUNDS Novartis Ag (CH) 2009-12-23 EP disclosed
WO-2008119744-A1 HETEROCYCLIC SPIRO-COMPOUNDS NOVARTIS AG (CH) 2008-10-09 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-20100144774-A1 HETEROCYCLIC SPIRO-COMPOUNDS REN, NR3C2, CYP21A2 CSNK2A1 1542/4885KDM1A 3591/4885KDM1B 4113/4885

“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.