SCHEMBL5873016

SCHEMBL5873016

Cc1cc(C)c2[nH]nc(-c3nc(C(=O)N4CCN(c5ccccn5)CC4)c(-c4cccnc4)s3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 10/20 0.41
TSHR P16473 6/20 0.40
MAPK1 P28482 3/20 0.40
RCE1 Q9Y256 1/20 0.40
SLC6A7 Q99884 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
USP2 O75604 1/20 0.39
HSD17B10 Q99714 2/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.38
GRM5 P41594 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
SCHEMBL5873155 0.93 SLC6A7 (0.42) KDM4EKMT2AALDH1A1SLC6A7MAPT
SCHEMBL5873068 0.93 ALDH1A1 (0.42) KDM4EKMT2AHPGDALDH1A1TSHR
SCHEMBL5872965 0.89 KMT2A (0.43) KMT2AALDH1A1LMNAMAPTNPSR1
SCHEMBL5769525 0.88 PIM1 (0.41) KMT2AALDH1A1HTTMEN1
SCHEMBL5872959 0.88 ALDH1A1 (0.42) KDM4EKMT2AALDH1A1TSHRMAPK1
SCHEMBL5873045 0.87 ALDH1A1 (0.41) KDM4EKMT2AHPGDALDH1A1TSHR
SCHEMBL5873067 0.87 MKNK1 (0.43) KDM4EKMT2AALDH1A1L3MBTL1HTT
SCHEMBL5872886 0.86 NAMPT (0.39) KDM4EKMT2AALDH1A1MAPTNPSR1
SCHEMBL5873193 0.85 DYRK1A (0.41) KDM4EKMT2AALDH1A1HTTMEN1
SCHEMBL5873066 0.84 MEN1 (0.42) KDM4EKMT2AALDH1A1LMNAMEN1

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
US-6984652-B2 Gyrase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2006-01-10 US disclosed
US-20050250823-A1 Gyrase inhibitors YAGER KRAIG 2005-11-10 US disclosed
US-20050054697-A1 Gyrase inhibitors PFIZER INC. 2005-03-10 US 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 (2 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-20050054697-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B KDM4E 2869/4885KMT2A 3223/4885HPGD 378/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B KDM4E 2869/4885KMT2A 3223/4885HPGD 378/4885

“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.