SCHEMBL10013425

SCHEMBL10013425

COC(=O)C1=C(CBr)N(c2cccc(C(F)(F)F)c2)C(=O)N[C@@H]1c1ccc(C#N)nc1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 19/20 0.68
▸ CYP2C9 P11712 5/20 0.68
▸ ADRB1 P08588 1/20 0.68
▸ HTR1A P08908 1/20 0.68
▸ HRH3 Q9Y5N1 1/20 0.68
▸ LMNA P02545 1/20 0.43
▸ RECQL P46063 1/20 0.43

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
SCHEMBL9914389 0.92 ELANE (0.68) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL7905406 0.89 ELANE (0.82) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL10013429 0.89 ELANE (0.82) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL10013423 0.86 ELANE (0.49) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL8052101 0.85 ELANE (0.52) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL2896989 0.82 ELANE (0.80) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL1245423 0.81 ELANE (0.87) ELANECYP2C9ADRB1HTR1AHRH3
Bay-678 SCHEMBL1245235 0.81 ELANE (1.00) ELANECYP2C9ADRB1HTR1AHRH3
Bay-677 SCHEMBL4179543 0.81 ELANE (1.00) ELANECYP2C9ADRB1HTR1AHRH3
Bay-678 SCHEMBL1245297 0.81 ELANE (1.00) ELANECYP2C9ADRB1HTR1AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455505-B2 Pyrrolopyrimidinedione and its therapeutic use CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-04 — — US disclosed
US-8455505-B2 Pyrrolopyrimidinedione and its therapeutic use CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-04 — — US disclosed
US-20120027692-A1 PYRROLOPYRIMIDINEDIONE AND ITS THERAPEUTIC USE CHIESI FARMACEUTICI S.P.A. (IT) 2012-02-02 — — US disclosed
US-20120027692-A1 PYRROLOPYRIMIDINEDIONE AND ITS THERAPEUTIC USE CHIESI FARMACEUTICI S.P.A. (IT) 2012-02-02 — — 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-20120027692-A1 PYRROLOPYRIMIDINEDIONE AND ITS THERAPEUTIC USE SERPINB1, ELANE, MPO ELANE 2/4885CYP2C9 1223/4885ADRB1 1562/4885

“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.

Send feedback