SCHEMBL15344137

SCHEMBL15344137

Cn1ncc2cc(N3CCNC3=O)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.49
CDK8 P49336 8/20 0.40
CCNC P24863 6/20 0.40
CDK19 Q9BWU1 5/20 0.40
CDC7 O00311 1/20 0.40
CREBBP Q92793 2/20 0.39
BRD4 O60885 1/20 0.39
DYRK3 O43781 1/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK2 Q92630 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK4 Q9NR20 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
CCNT1 O60563 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCND3 P30281 1/20 0.38

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
SCHEMBL15331887 0.92 CYP11B2 (0.47) CYP11B2CDK8CCNCCDK19CDC7
SCHEMBL26683815 0.81 CRBN (0.49) CYP11B2CDK8CCNCCDK19CREBBP
SCHEMBL30449846 0.81 CRBN (0.49) CYP11B2CDK8CCNCCDK19CREBBP
SCHEMBL15344908 0.79 CYP11B2 (0.47) CYP11B2CDC7CREBBPBRD4DYRK3
SCHEMBL15344945 0.77 CYP11B2 (0.48) CYP11B2CDC7CREBBPBRD4DYRK3
SCHEMBL16874175 0.75 HTR3E (0.51) CYP11B2CDK8
SCHEMBL31330017 0.75 HTR3E (0.51) CYP11B2CDK8
SCHEMBL15340925 0.75 CYP11B2 (0.44) CYP11B2CDC7CREBBPBRD4DYRK3
Hydrochloric Acid SCHEMBL2798908 0.74 HTR3E (0.50) CYP11B2CDK8
SCHEMBL15340920 0.73 CYP11B2 (0.45) CYP11B2CDC7CREBBPBRD4DYRK3

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
US-9096586-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-08-04 US disclosed
US-20130281434-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-10-24 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-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 CYP11B2 21/4885CDK8 856/4885CCNC 328/4885

“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.