SCHEMBL1814490

SCHEMBL1814490

Cc1cc(Nc2c(C)cccc2C(=O)O)n(-c2cc(F)ccc2F)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 3/20 0.45
GFER P55789 2/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
KCNJ6 P48051 2/20 0.41
KCNJ5 P48544 2/20 0.41
KCNJ3 P48549 2/20 0.41
MAPT P10636 1/20 0.41
GAA P10253 3/20 0.40
HTT P42858 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
NTRK1 P04629 2/20 0.40
FTO Q9C0B1 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 2/20 0.38
ACLY P53396 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RIPK1 Q13546 1/20 0.38
MEN1 O00255 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
SCHEMBL1816111 0.92 KMT2A (0.47) KMT2AKDM4EGFERALDH1A1LMNA
SCHEMBL1808088 0.90 KMT2A (0.48) KMT2AKDM4EGFERALDH1A1LMNA
SCHEMBL1814089 0.87 MAPT (0.44) KMT2AKDM4EGFERALDH1A1LMNA
SCHEMBL1811819 0.84 KMT2A (0.46) KMT2AKDM4EGFERALDH1A1LMNA
SCHEMBL1815234 0.84 LMNA (0.50) KMT2AGFERALDH1A1LMNAKCNJ6
SCHEMBL1810794 0.81 GFER (0.44) KMT2AGFERALDH1A1LMNAKCNJ6
SCHEMBL1819141 0.81 GFER (0.58) KMT2AGFERALDH1A1LMNAKCNJ6
SCHEMBL1810125 0.81 KDM4E (0.42) KMT2AKDM4EACLYRIPK1POLB
SCHEMBL1816694 0.80 ALDH1A1 (0.47) KMT2AGFERALDH1A1LMNAMAPT
SCHEMBL5310758 0.77 SMN1; SMN2 (0.46) KMT2AKDM4EGFERALDH1A1LMNA

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 KMT2A 3072/4885KDM4E 2516/4885GFER 730/4885

“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.