SCHEMBL1470937

SCHEMBL1470937

COc1ccc2c(=O)[nH]c(C)c(Br)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP15 Q460N3 1/20 0.52
▸ PARP14 Q460N5 1/20 0.52
▸ PARP10 Q53GL7 1/20 0.52
▸ TNKS2 Q9H2K2 1/20 0.52
▸ PARP2 Q9UGN5 1/20 0.52
▸ PDE3B Q13370 2/20 0.51
▸ PDE3A Q14432 2/20 0.51
▸ KDM4E B2RXH2 5/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.46
▸ HPGD P15428 2/20 0.46
▸ MAPT P10636 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ STING1 Q86WV6 1/20 0.43
▸ CDK4 P11802 2/20 0.43
▸ CCND1 P24385 2/20 0.43

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
SCHEMBL16740905 0.87 PDE3B (0.64) PARP15PARP14PARP10TNKS2PARP2
SCHEMBL31047680 0.78 SERPINE1 (0.54) PARP15PARP14PARP10TNKS2PARP2
SCHEMBL26785799 0.77 PARP15 (0.58) PARP15PARP14PARP10TNKS2PARP2
SCHEMBL29853659 0.77 PARP15 (0.58) PARP15PARP14PARP10TNKS2PARP2
SCHEMBL1376797 0.76 NR3C1 (0.52) PARP15PARP14PARP10TNKS2PARP2
SCHEMBL2249225 0.74 ALDH1A1 (0.50) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL28825745 0.74 PARP15 (0.49) PARP15PARP14PARP10TNKS2PARP2
SCHEMBL12323809 0.74 KDM4E (0.47) PARP15PARP14PARP10TNKS2PARP2
SCHEMBL14867294 0.74 KDM4E (0.50) PARP15PARP14PARP10TNKS2PARP2
SCHEMBL24000796 0.73 PARP15 (0.54) PARP15PARP14PARP10TNKS2PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915288-B2 1-aryl-4-substituted isoquinolines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-03-29 — — US disclosed
EP-1745024-A4 1-ARYL-4-SUBSTITUTED ISOQUINOLINES NEUROGEN CORP (US) 2008-01-09 — — EP disclosed
US-20070249665-A1 1-aryl-4-substituted isoquinolines NEUROGEN CORPORATION (US) 2007-10-25 — — US disclosed
EP-1745024-A1 1-ARYL-4-SUBSTITUTED ISOQUINOLINES NEUROGEN CORPORATION (US) 2007-01-24 — — EP disclosed
WO-2005110991-A1 1-ARYL-4-SUBSTITUTED ISOQUINOLINES NEUROGEN CORPORATION (US) 2005-11-24 — — WO 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-20070249665-A1 1-aryl-4-substituted isoquinolines C3AR1, C5AR1, C5AR2 PARP15 642/4885PARP14 583/4885PARP10 805/4885

“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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