SCHEMBL1633005

SCHEMBL1633005

OCCNc1cc(C(Sc2ccc(Cl)cc2)c2cc(F)ccc2F)c(Cl)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 4/20 0.40
CDK9 P50750 5/20 0.39
TDO2 P48775 1/20 0.36
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MAP4K4 O95819 2/20 0.33
TYK2 P29597 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
MINK1 Q8N4C8 1/20 0.33
SRPK1 Q96SB4 1/20 0.33
GCGR P47871 6/20 0.33
ABL1 P00519 1/20 0.33
JAK2 O60674 1/20 0.33
ROCK2 O75116 1/20 0.33
RPS6KB1 P23443 1/20 0.33

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
SCHEMBL1632265 0.97 CCNT1 (0.41) CCNT1CDK9TDO2MAP4K4TYK2
SCHEMBL1633120 0.91 KDM4E (0.35) CCNT1CDK9PSEN1PSEN2APH1B
SCHEMBL1631163 0.88 ABL1 (0.38) CCNT1PSEN1PSEN2APH1BNCSTN
SCHEMBL1631835 0.86 CCNT1 (0.45) CCNT1CDK9MKNK1
SCHEMBL1632382 0.85 PSEN1 (0.33) CDK9PSEN1PSEN2APH1BNCSTN
SCHEMBL1633056 0.85 CCNT1 (0.44) CCNT1ABL1JAK2
SCHEMBL1630853 0.84 CDK9 (0.42) CCNT1CDK9
SCHEMBL1631559 0.83 CCNT1 (0.42) CCNT1CDK9
SCHEMBL1632760 0.83 CCNT1 (0.39) CCNT1CDK9PSEN1PSEN2APH1B
SCHEMBL1632965 0.82 CCNT1 (0.47) CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932271-B2 Heterocyclic methyl sulfone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 US disclosed
US-7932271-B2 Heterocyclic methyl sulfone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 US disclosed
US-7932271-B2 Heterocyclic methyl sulfone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 US disclosed
US-20060241302-A1 Morpholine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-10-26 US disclosed
EP-1640366-A1 HETEROCYCLIC METHYL SULFONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-03-29 EP 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-20060241302-A1 Morpholine derivatives APP, BACE1, SMS CCNT1 1298/4885CDK9 4427/4885TDO2 1245/4885

“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.