SCHEMBL1814786

SCHEMBL1814786

Cc1cccc(C(=O)O)c1Nc1c(Br)c(C)nn1-c1ccc(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ADORA1 P30542 6/20 0.42
P2RX7 Q99572 2/20 0.39
HDAC9 Q9UKV0 1/20 0.37
RORC P51449 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
OPRM1 P35372 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 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
SCHEMBL1811983 0.93 ADORA1 (0.44) KDM4EADORA1HDAC9RORC
SCHEMBL1810125 0.92 KDM4E (0.42) KDM4EADORA1P2RX7RORC
SCHEMBL1818962 0.87 ADORA1 (0.42) KDM4EADORA1CYP3A4CYP2C9ALDH1A1
SCHEMBL1815547 0.85 KDM4E (0.42) KDM4EADORA1HDAC9RORCCYP3A4
SCHEMBL1817001 0.84 ADORA1 (0.48) ADORA1CYP3A4CYP2C9ALDH1A1
SCHEMBL1809503 0.82 ADORA1 (0.43) KDM4EADORA1ALDH1A1
SCHEMBL1817101 0.81 SMN1; SMN2 (0.47) KDM4EP2RX7CYP3A4CYP2C9ALDH1A1
SCHEMBL1816111 0.81 KMT2A (0.47) KDM4EL3MBTL1CYP3A4CYP2C9ALDH1A1
SCHEMBL1814347 0.80 TAS2R14 (0.45) ADORA1
SCHEMBL1819947 0.79 ADORA1 (0.69) ADORA1

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 KDM4E 2516/4885ADORA1 724/4885P2RX7 473/4885

“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.