SCHEMBL17686199

SCHEMBL17686199

CCOC(=O)c1nc(Br)n(C(C)C)c1C(Nc1cc(C)c2nnn(C)c2n1)c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD2 P25440 10/20 0.38
BRD4 O60885 8/20 0.38
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36
CYP19A1 P11511 2/20 0.35
BRD3 Q15059 8/20 0.34
CRHR1 P34998 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
CREBBP Q92793 5/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 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
SCHEMBL16268422 0.90 CREBBP (0.35) BRD2BRD4BRD3CREBBP
SCHEMBL16268447 0.87 BRD4 (0.37) BRD2BRD4SLC5A1SLC5A2CYP19A1
SCHEMBL16268706 0.86 CREBBP (0.38) BRD2BRD4SLC5A1SLC5A2CYP19A1
SCHEMBL15148725 0.82 TP53 (0.39) SLC5A1SLC5A2CYP19A1S1PR1S1PR3
SCHEMBL16740431 0.82 BRD4 (0.44) BRD2BRD4SLC5A1SLC5A2CYP19A1
SCHEMBL16269055 0.81 BRD4 (0.41) BRD2BRD4SLC5A1SLC5A2BRD3
SCHEMBL16740574 0.80 BRD4 (0.43) BRD2BRD4BRD3S1PR1S1PR3
SCHEMBL15148339 0.80 S1PR1 (0.42) SLC5A1SLC5A2S1PR1S1PR3POLB
SCHEMBL15148256 0.80 SLC5A1 (0.39) SLC5A1SLC5A2CYP19A1S1PR1S1PR3
SCHEMBL15148297 0.80 KMT2A (0.39) SLC5A1SLC5A2CYP19A1S1PR1S1PR3

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-3412675-A1 IMIDAZOPYRROLIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Novartis AG (CH) 2018-12-12 EP disclosed
US-9890166-B2 Imidazopyrrolidine derivatives and their use in the treatment of disease NOVARTIS AG (CH) 2018-02-13 US disclosed
US-20160108047-A1 IMIDAZOPYRROLIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2016-04-21 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-20160108047-A1 IMIDAZOPYRROLIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE TPMT, REN, IL5 BRD2 539/4885BRD4 176/4885SLC5A1 47/4885

“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.