SCHEMBL17686232

SCHEMBL17686232

Cc1cc(N)cc2c1nnn2C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD2 P25440 13/20 0.37
BRD3 Q15059 13/20 0.37
CREBBP Q92793 13/20 0.37
BRD4 O60885 12/20 0.37
RPS6KA3 P51812 1/20 0.35
SLC9A1 P19634 1/20 0.34
KEAP1 Q14145 1/20 0.34
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
NT5E P21589 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL16259899 0.80 BRD2 (0.36) BRD2BRD3CREBBPBRD4SLC9A1
SCHEMBL16244381 0.77 NQO2 (0.37) BRD2BRD3CREBBPBRD4SLC9A1
SCHEMBL16268921 0.77 TP53 (0.38) BRD2BRD3CREBBPBRD4SLC9A1
SCHEMBL29343017 0.74 BRD2 (0.35) BRD2BRD3CREBBPBRD4SLC9A1
SCHEMBL27899640 0.72 SLC9A1 (0.36) BRD2BRD3CREBBPBRD4SLC9A1
SCHEMBL19330053 0.69 MMP12 (0.38) RPS6KA3KDM4ETSHRADORA2AADORA2B
SCHEMBL24375535 0.68 SLC9A1 (0.36) SLC9A1KEAP1LMNAKDM4ETSHR
SCHEMBL30036706 0.68 SLC9A1 (0.50) SLC9A1KEAP1LMNAKDM4ETSHR
SCHEMBL256210 0.68 SLC9A1 (0.50) SLC9A1KEAP1LMNAKDM4ETSHR
SCHEMBL16268461 0.68 PRMT5 (0.39) BRD2BRD3CREBBPBRD4TP53

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 9 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-9890166-B2 Imidazopyrrolidine derivatives and their use in the treatment of disease NOVARTIS AG (CH) 2018-02-13 US disclosed
US-9890166-B2 Imidazopyrrolidine derivatives and their use in the treatment of disease NOVARTIS AG (CH) 2018-02-13 US disclosed
US-9550796-B2 Pyrrolopyrrolone derivatives and their use as BET inhibitors NOVARTIS AG (CH) 2017-01-24 US disclosed
US-20160280719-A1 PYRROLOPYRROLONE DERIVATIVES AND THEIR USE AS BET INHIBITORS NOVARTIS AG (CH) 2016-09-29 US disclosed
US-20160108047-A1 IMIDAZOPYRROLIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2016-04-21 US disclosed
US-20160108047-A1 IMIDAZOPYRROLIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2016-04-21 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 (2 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 539/4885BRD3 492/4885CREBBP 2193/4885
US-20160280719-A1 PYRROLOPYRROLONE DERIVATIVES AND THEIR USE AS BET INHIBITORS BET1, PHKB, TMPO BRD2 16/4885BRD3 12/4885CREBBP 577/4885

“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.