SCHEMBL16244258

SCHEMBL16244258

CCOC(=O)c1nn(C2CC2)cc1C(Nc1cc(Cl)c(=O)n(C)c1)c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 8/20 0.39
▸ BRD2 P25440 8/20 0.39
▸ BRD3 Q15059 8/20 0.39
▸ CREBBP Q92793 6/20 0.39
▸ S1PR1 P21453 1/20 0.37
▸ S1PR3 Q99500 1/20 0.37
▸ P2RX3 P56373 2/20 0.37
▸ MAPT P10636 2/20 0.36
▸ APP P05067 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ NPBWR1 P48145 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL16244220 0.93 BRD4 (0.38) BRD4BRD2BRD3CREBBPS1PR1
SCHEMBL16244716 0.88 BRD4 (0.42) BRD4BRD2BRD3CREBBP
SCHEMBL16259906 0.88 KDM4E (0.39) S1PR1S1PR3P2RX3MAPTAPP
SCHEMBL16244255 0.86 BRD4 (0.41) BRD4BRD2BRD3CREBBPS1PR1
SCHEMBL16244757 0.86 P2RX3 (0.41) BRD4BRD2BRD3CREBBPS1PR1
SCHEMBL16244565 0.85 BRD4 (0.41) BRD4BRD2BRD3CREBBPS1PR1
SCHEMBL16244725 0.82 BRD4 (0.39) BRD4BRD2BRD3CREBBP
SCHEMBL16244222 0.81 BRD4 (0.43) BRD4BRD2BRD3CREBBPS1PR1
SCHEMBL16244452 0.81 KDM4E (0.39) BRD4BRD2BRD3CREBBPS1PR1
SCHEMBL16244426 0.81 NPBWR1 (0.42) S1PR1S1PR3P2RX3MAPTAPP

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 BRD4 609/4885BRD2 1502/4885BRD3 1435/4885
US-20140349990-A1 Pyrazolopyrrolidine Derivatives and their Use in the Treatment of Disease PKD1, PKD2, REN BRD4 652/4885BRD2 1533/4885BRD3 1439/4885

“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.

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