SCHEMBL5763250

SCHEMBL5763250

CN(C)CC#C[C@H]1CC[C@H](N(C)c2ccc(C#N)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
JAK2 O60674 9/20 0.43
JAK3 P52333 8/20 0.43
EGLN2 Q96KS0 2/20 0.43
JAK1 P23458 3/20 0.36
USP30 Q70CQ3 2/20 0.35
IRAK4 Q9NWZ3 2/20 0.35
KCNH2 Q12809 1/20 0.33
SLC6A4 P31645 1/20 0.32

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
SCHEMBL5763243 1.00 CCNA2 (0.46) CCNA2CDK2JAK2JAK3EGLN2
SCHEMBL5762626 0.88 CCNA2 (0.43) CCNA2CDK2JAK2JAK3EGLN2
SCHEMBL5762630 0.88 CCNA2 (0.43) CCNA2CDK2JAK2JAK3EGLN2
SCHEMBL5761161 0.88 JAK2 (0.41) CCNA2CDK2JAK2JAK3EGLN2
SCHEMBL5761156 0.88 JAK2 (0.41) CCNA2CDK2JAK2JAK3EGLN2
SCHEMBL5762610 0.83 GBA1 (0.42) CCNA2CDK2JAK2JAK1USP30
SCHEMBL5762607 0.83 GBA1 (0.42) CCNA2CDK2JAK2JAK1USP30
SCHEMBL5763208 0.82 CCNA2 (0.44) CCNA2CDK2JAK2JAK3EGLN2
SCHEMBL5763213 0.82 CCNA2 (0.44) CCNA2CDK2JAK2JAK3EGLN2
SCHEMBL5761901 0.78 CYP2D6 (0.40) JAK2JAK3KCNH2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458683-B1 HETEROARYL-SUBSTITUTED AMINOCYCLOHEXANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-11-22 EP disclosed
US-7012077-B2 Substituted cyclohexane derivatives HOFFMANN-LA ROCHE INC. (US) 2006-03-14 US disclosed
US-20030186984-A1 Substituted cyclohexane derivatives HOFFMAN-LA ROCHE INC. 2003-10-02 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-20030186984-A1 Substituted cyclohexane derivatives CYP51A1, LSS, CYP46A1 CCNA2 1854/4885CDK2 2536/4885JAK2 3542/4885

“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.