SCHEMBL16244397

SCHEMBL16244397

Cc1nnc2c(N(C)C(=O)O)cc(Cl)nn12

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BRD4 O60885 12/20 0.36
BRD9 Q9H8M2 2/20 0.36
LIN28A Q9H9Z2 1/20 0.35
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CREBBP Q92793 1/20 0.32
CECR2 Q9BXF3 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KAT2A Q92830 1/20 0.30
KAT2B Q92831 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL16259910 0.82 BRD9 (0.43) RXFP1L3MBTL1BRD4BRD9LIN28A
SCHEMBL20160027 0.72 L3MBTL1 (0.40) RXFP1L3MBTL1BRD4BRD9TSHR
SCHEMBL16140295 0.70 RXFP1 (0.38) RXFP1L3MBTL1BRD4BRD9TSHR
SCHEMBL6620694 0.69 RXFP1 (0.42) RXFP1L3MBTL1BRD4BRD9TSHR
SCHEMBL16244413 0.68 RXFP1 (0.45) RXFP1L3MBTL1BRD4BRD9TSHR
SCHEMBL14118194 0.68 TDP1 (0.36) L3MBTL1MAPK1ALDH1A1LMNASMN1; SMN2
SCHEMBL15711581 0.66 BRD4 (0.49) RXFP1L3MBTL1BRD4BRD9TSHR
SCHEMBL2695541 0.66 KDM4E (0.50) BRD4LIN28AHSD17B10ALDH1A1KDM4E
SCHEMBL16259909 0.65 BRD9 (0.68) BRD4BRD9CREBBPCECR2KAT2B
SCHEMBL15711583 0.63 BRD4 (0.49) RXFP1L3MBTL1BRD4BRD9KAT2A

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 6 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-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

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 RXFP1 3158/4885L3MBTL1 4859/4885BRD4 609/4885
US-20140349990-A1 Pyrazolopyrrolidine Derivatives and their Use in the Treatment of Disease PKD1, PKD2, REN RXFP1 3117/4885L3MBTL1 4860/4885BRD4 652/4885

“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.