SCHEMBL1815545

SCHEMBL1815545

COC(=O)c1ccccc1Nc1c(Br)c(C)nn1-c1c(C)cccc1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
ALOX15 P16050 1/20 0.41
ADORA1 P30542 3/20 0.40
PTGS2 P35354 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 4/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.38
ALOX12 P18054 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL1818960 0.87 KMT2A (0.42) KDM4EMAPTALDH1A1HPGDALOX15
SCHEMBL1816999 0.85 ADORA1 (0.51) MAPTALDH1A1HPGDALOX15ADORA1
SCHEMBL1817098 0.82 TDP1 (0.52) KDM4EMAPTALDH1A1HPGDALOX15
SCHEMBL3308263 0.82 ADORA1 (0.44) KDM4EMAPTALDH1A1HPGDALOX15
SCHEMBL1814785 0.82 ADORA1 (0.44) KDM4EMAPTALDH1A1HPGDALOX15
SCHEMBL3299197 0.82 ADORA1 (0.48) KDM4EMAPTALDH1A1HPGDALOX15
SCHEMBL1815547 0.81 KDM4E (0.42) KDM4EMAPTALDH1A1HPGDADORA1
SCHEMBL3306639 0.80 HPGD (0.53) KDM4EMAPTALDH1A1HPGDGLA
SCHEMBL3306670 0.79 ADORA1 (0.46) KDM4EMAPTALDH1A1HPGDGLA
SCHEMBL3305074 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 6 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
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US 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
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 2516/4885MAPT 2724/4885ALDH1A1 260/4885

“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.