SCHEMBL1811983

SCHEMBL1811983

Cc1cc(F)ccc1-n1nc(C)c(Br)c1Nc1c(C)cccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 13/20 0.44
KDM4E B2RXH2 1/20 0.43
HDAC9 Q9UKV0 2/20 0.37
ADORA2B P29275 1/20 0.36
KMT2A Q03164 1/20 0.35
RORC P51449 1/20 0.35
POLB P06746 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ACLY P53396 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
SCHEMBL1814786 0.93 KDM4E (0.42) ADORA1KDM4EHDAC9RORC
SCHEMBL1810125 0.91 KDM4E (0.42) ADORA1KDM4EKMT2ARORCPOLB
SCHEMBL1817001 0.87 ADORA1 (0.48) ADORA1ADORA2BKMT2APOLBADORA3
SCHEMBL1818962 0.85 ADORA1 (0.42) ADORA1KDM4EADORA2BKMT2APOLB
SCHEMBL1815547 0.84 KDM4E (0.42) ADORA1KDM4EHDAC9KMT2ARORC
SCHEMBL1809503 0.83 ADORA1 (0.43) ADORA1KDM4EADORA2BPOLBADORA3
SCHEMBL1817101 0.82 SMN1; SMN2 (0.47) KDM4EKMT2APOLB
SCHEMBL1814347 0.81 TAS2R14 (0.45) ADORA1ADORA2BPOLB
SCHEMBL1808088 0.80 KMT2A (0.48) ADORA1KDM4EKMT2APOLB
SCHEMBL3299197 0.79 ADORA1 (0.48) ADORA1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2321296-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2011-05-18 EP disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
WO-2010020363-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 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-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF CYP3A5, ABAT, TPMT ADORA1 724/4885KDM4E 2516/4885HDAC9 1882/4885

“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.