SCHEMBL16244381

SCHEMBL16244381

Cc1cc(Br)cc2c1nnn2C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.37
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
BRD2 P25440 13/20 0.35
BRD3 Q15059 13/20 0.35
CREBBP Q92793 13/20 0.35
BRD4 O60885 12/20 0.35
GRM2 Q14416 1/20 0.35
SLC9A1 P19634 1/20 0.34
KEAP1 Q14145 1/20 0.34
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
NT5E P21589 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 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) ADORA2AADORA2BBRD2BRD3CREBBP
SCHEMBL29343017 0.78 BRD2 (0.35) BRD2BRD3CREBBPBRD4SLC9A1
SCHEMBL17686232 0.77 BRD2 (0.37) ADORA2AADORA2BBRD2BRD3CREBBP
SCHEMBL16268128 0.77 NQO2 (0.41) NQO2BRD2BRD3CREBBPBRD4
SCHEMBL20547502 0.74 HCAR3 (0.43) KDM4ERAB9A
SCHEMBL22425913 0.73 GRM2 (0.37) ADORA2AADORA2BBRD2BRD3CREBBP
SCHEMBL27899640 0.72 SLC9A1 (0.36) ADORA2AADORA2BBRD2BRD3CREBBP
SCHEMBL17910027 0.71 KMT2A (0.37) KDM4E
SCHEMBL30618046 0.71 KMT2A (0.37) KDM4E
SCHEMBL25368435 0.70 NQO2 (0.39) NQO2

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 35 patents — showing the first 20. 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
EP-3004108-B1 PYRAZOLO-PYRROLIDIN-4-ONE DERIVATIVES AS BET INHIBITORS AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2017-10-18 EP disclosed
EP-3004110-B1 PYRAZOLOPYRROLIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2017-07-26 EP disclosed
US-9624247-B2 Pyrazolo-pyrrolidin-4-one derivatives as bet inhibitors and their use in the treatment of disease NOVARTIS AG (CH) 2017-04-18 US disclosed
US-9624247-B2 Pyrazolo-pyrrolidin-4-one derivatives as bet inhibitors and their use in the treatment of disease NOVARTIS AG (CH) 2017-04-18 US disclosed
US-9624247-B2 Pyrazolo-pyrrolidin-4-one derivatives as bet inhibitors and their use in the treatment of disease NOVARTIS AG (CH) 2017-04-18 US disclosed
US-9550796-B2 Pyrrolopyrrolone derivatives and their use as BET inhibitors NOVARTIS AG (CH) 2017-01-24 US disclosed
US-8975417-B2 Pyrazolopyrrolidine derivatives and their use in the treatment of disease NOVARTIS AG (CH) 2015-03-10 US disclosed
US-8975417-B2 Pyrazolopyrrolidine derivatives and their use in the treatment of disease NOVARTIS AG (CH) 2015-03-10 US disclosed
US-8975417-B2 Pyrazolopyrrolidine derivatives and their use in the treatment of disease NOVARTIS AG (CH) 2015-03-10 US disclosed
WO-2014191894-A1 IMIDAZOPYRROLIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2014-12-04 WO disclosed
WO-2014191896-A1 PYRAZOLOPYRROLIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2014-12-04 WO disclosed
WO-2014191906-A1 PYRAZOLO-PYRROLIDIN-4-ONE DERIVATIVES AS BET INHIBITORS AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2014-12-04 WO disclosed
WO-2014191894-A1 IMIDAZOPYRROLIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2014-12-04 WO disclosed
US-20140349990-A1 Pyrazolopyrrolidine Derivatives and their Use in the Treatment of Disease NOVARTIS AG (CH) 2014-11-27 US disclosed
US-20140349990-A1 Pyrazolopyrrolidine Derivatives and their Use in the Treatment of Disease NOVARTIS AG (CH) 2014-11-27 US disclosed
US-20140349990-A1 Pyrazolopyrrolidine Derivatives and their Use in the Treatment of Disease NOVARTIS AG (CH) 2014-11-27 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-20140349990-A1 Pyrazolopyrrolidine Derivatives and their Use in the Treatment of Disease PKD1, PKD2, REN NQO2 563/4885ADORA2A 2126/4885ADORA2B 1906/4885

“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.