SCHEMBL1814487

SCHEMBL1814487

Cc1cc(NC2(C)C=CC=CC2C(=O)O)n(-c2cc(F)ccc2F)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
KCNJ6 P48051 6/20 0.39
KCNJ3 P48549 6/20 0.39
KCNJ5 P48544 5/20 0.39
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
NTRK1 P04629 2/20 0.34
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RIPK1 Q13546 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 3/20 0.32
TP53 P04637 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL1816105 0.92 KDM4E (0.44) KDM4EHTTKCNJ6KCNJ3KCNJ5
SCHEMBL3299180 0.90 HTT (0.40) KDM4EHTTKCNJ6KCNJ3KCNJ5
SCHEMBL1814085 0.86 KCNJ6 (0.37) KDM4EHTTKCNJ6KCNJ3KCNJ5
SCHEMBL3308257 0.82 L3MBTL1 (0.34) L3MBTL1RIPK1CNR2
SCHEMBL3306636 0.82 KMT2A (0.36) KDM4EHTTKCNJ6KCNJ3KCNJ5
SCHEMBL3262815 0.81 NTRK1 (0.52) HTTKCNJ6KCNJ3KCNJ5LMNA
SCHEMBL1814784 0.74 OPRM1 (0.38) GAAL3MBTL1CNR2
SCHEMBL3311804 0.74 ADORA1 (0.48)
SCHEMBL3299195 0.72 L3MBTL1 (0.34) L3MBTL1
SCHEMBL1818958 0.67 SCN9A (0.37) L3MBTL1

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 2516/4885HTT 3044/4885KCNJ6 2866/4885

“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.