SCHEMBL9948997

SCHEMBL9948997

O=S(=O)(c1ccccc1)n1cc(CBr)c2cccnc21

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.64
CCNE1 P24864 2/20 0.53
CDK2 P24941 2/20 0.53
CYP2C19 P33261 1/20 0.51
MET P08581 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR1F P30939 1/20 0.42
HTR7 P34969 1/20 0.42
DRD3 P35462 1/20 0.42
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40

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
SCHEMBL9948819 0.88 HTR6 (0.55) HTR6CCNE1CDK2PTGDR2
SCHEMBL3886933 0.84 HTR6 (0.66) HTR6CCNE1CDK2CYP2C19HTR1A
SCHEMBL1772540 0.83 HTR6 (0.64) HTR6CCNE1CDK2CYP2C19MET
SCHEMBL1049380 0.82 HTR6 (0.55) HTR6CCNE1CDK2CYP2C19MET
SCHEMBL3888242 0.81 HTR6 (0.68) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL28140601 0.80 HTR6 (0.57) HTR6CCNE1CDK2CYP2C19MET
SCHEMBL1267767 0.80 CYP2C19 (0.56) HTR6CCNE1CDK2CYP2C19MET
SCHEMBL12675767 0.79 HTR6 (0.56) HTR6CCNE1CDK2CYP2C19MET
SCHEMBL1773129 0.79 HTR6 (0.58) HTR6CCNE1CDK2CYP2C19MET
SCHEMBL28312453 0.79 HTR6 (0.55) HTR6CCNE1CDK2CYP2C19MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012101487-A1 DI/TRI-AZA-SPIRO-C9-C11ALKANES NOVARTIS AG (CH) 2012-08-02 WO disclosed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 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-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes TACR2, TACR1, AGTR1 HTR6 1928/4885CCNE1 86/4885CDK2 356/4885

“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.