SCHEMBL16244452

SCHEMBL16244452

CCOC(=O)c1nn(C)cc1C(Nc1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ S1PR1 P21453 1/20 0.38
▸ S1PR3 Q99500 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ APP P05067 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ BRD4 O60885 4/20 0.37
▸ BRD2 P25440 4/20 0.37
▸ BRD3 Q15059 4/20 0.37
▸ CREBBP Q92793 2/20 0.37
▸ NPBWR1 P48145 1/20 0.36
▸ P2RX3 P56373 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL16259906 0.93 KDM4E (0.39) KDM4ENPC1RAB9ATP53HSD17B10
SCHEMBL16244641 0.91 S1PR1 (0.43) KDM4ENPC1RAB9ATP53HSD17B10
SCHEMBL16244714 0.90 BRD4 (0.39) KDM4ENPC1RAB9AS1PR1S1PR3
SCHEMBL16244220 0.88 BRD4 (0.38) KDM4ENPC1RAB9AS1PR1S1PR3
SCHEMBL16244949 0.88 BRD4 (0.38) BRD4BRD2BRD3CREBBP
SCHEMBL16244627 0.85 NPBWR1 (0.42) S1PR1S1PR3MAPTL3MBTL1NPBWR1
SCHEMBL16244260 0.85 KDM4E (0.39) KDM4ENPC1RAB9AS1PR1S1PR3
SCHEMBL16244757 0.83 P2RX3 (0.41) KDM4ENPC1RAB9AS1PR1S1PR3
SCHEMBL16267977 0.81 GABRA2 (0.37) KDM4ENPC1RAB9AS1PR1S1PR3
SCHEMBL16244258 0.81 BRD4 (0.39) KDM4ENPC1RAB9ATP53S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3004110-B1 PYRAZOLOPYRROLIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2017-07-26 — — EP disclosed
EP-3004110-A1 PYRAZOLOPYRROLIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Novartis AG (CH) 2016-04-13 — — EP disclosed
US-20160095843-A1 PYRAZOLOPYRROLIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2016-04-07 — — US disclosed
US-20160095843-A1 PYRAZOLOPYRROLIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2016-04-07 — — US disclosed
US-20160095843-A1 PYRAZOLOPYRROLIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2016-04-07 — — 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-2014191896-A1 PYRAZOLOPYRROLIDINE 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 (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-20160095843-A1 PYRAZOLOPYRROLIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE PKD1, PKD2, REN KDM4E 2902/4885NPC1 326/4885RAB9A 1126/4885
US-20140349990-A1 Pyrazolopyrrolidine Derivatives and their Use in the Treatment of Disease PKD1, PKD2, REN KDM4E 2965/4885NPC1 327/4885RAB9A 1155/4885

“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