SCHEMBL1771879

SCHEMBL1771879

[CH2]c1ccc2c(ccc(=O)n2C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 16/20 0.62
BRD4 O60885 5/20 0.55
BRD9 Q9H8M2 5/20 0.55
CA12 O43570 1/20 0.55
CA9 Q16790 1/20 0.55
KAT2B Q92831 1/20 0.55
BRD1 O95696 9/20 0.47
BRPF3 Q9ULD4 4/20 0.47
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
BCL6 P41182 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38

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
SCHEMBL422084 0.78 BRPF1 (0.65) BRPF1BRD4BRD9CA12CA9
SCHEMBL29213971 0.77 BRPF1 (0.62) BRPF1BRD4BRD9CA12CA9
SCHEMBL31202712 0.77 BRPF1 (0.62) BRPF1BRD4BRD9CA12CA9
SCHEMBL1238373 0.77 BRPF1 (0.62) BRPF1BRD4BRD9CA12CA9
SCHEMBL2172818 0.77 BRPF1 (0.62) BRPF1BRD4BRD9CA12CA9
SCHEMBL7085783 0.77 BRPF1 (1.00) BRPF1BRD4BRD9CA12CA9
SCHEMBL9257087 0.77 BRPF1 (0.62) BRPF1BRD4BRD9CA12CA9
SCHEMBL8556776 0.77 BRPF1 (0.62) BRPF1BRD4BRD9CA12CA9
SCHEMBL7948769 0.77 BRPF1 (0.57) BRPF1BRD4BRD9CA12CA9
SCHEMBL24247197 0.74 BRPF1 (0.59) BRPF1BRD4BRD9CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3542801-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAP-RELATED DISEASES Boehringer Ingelheim International GmbH (DE) 2019-09-25 EP disclosed
EP-2190434-B1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAP-RELATED DISEASES BOEHRINGER INGELHEIM INT (DE) 2019-04-17 EP disclosed
US-20160136180-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-05-19 US disclosed
US-20110112069-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-12 US disclosed
CN-101784278-A Purin derivatives for use in the treatment of FAB-related diseases BOEHRINGER INGELHEIM INT 2010-07-21 CN disclosed
EP-2190434-A2 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES Boehringer Ingelheim International GmbH (DE) 2010-06-02 EP disclosed
WO-2009024542-A2 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-26 WO disclosed
EP-0581464-A1 Ester derivatives and pharmaceutical compositions containing them ZENECA LIMITED (GB) 1994-02-02 EP 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-20160136180-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES PNP, ENTPD5, NUDT14 BRPF1 313/4885BRD4 385/4885BRD9 972/4885
US-20110112069-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES PNP, PURB, NUDT14 BRPF1 309/4885BRD4 624/4885BRD9 800/4885

“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.