SCHEMBL5872792

SCHEMBL5872792

Cc1c(Cl)ccc2c(-c3nc(C(=O)N4CCN(c5ncccn5)CC4)c(-c4cccnc4)s3)n[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SLC6A7 Q99884 5/20 0.40
HSD17B10 Q99714 1/20 0.39
PIM1 P11309 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 3/20 0.38
POLB P06746 1/20 0.38
GRM5 P41594 1/20 0.36

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
SCHEMBL5873045 0.92 ALDH1A1 (0.41) TSHRUSP2HPGDNPSR1SLC6A7
SCHEMBL5873165 0.91 SLC6A7 (0.41) SLC6A7PIM1MEN1KMT2AALDH1A1
SCHEMBL5873025 0.91 ALDH1A1 (0.43) TSHRHPGDNPSR1PIM1MEN1
SCHEMBL5770403 0.91 PIM1 (0.42) PIM1MEN1KMT2AALDH1A1HTT
SCHEMBL5872958 0.89 MKNK1 (0.43) PIM1MEN1KMT2AALDH1A1HTT
SCHEMBL5872913 0.88 DYRK1A (0.40) PIM1MEN1KMT2AALDH1A1HTT
SCHEMBL5873054 0.88 PIM1 (0.40) PIM1MEN1KMT2AALDH1A1HTT
SCHEMBL5873133 0.88 TACR3 (0.42) TSHRMEN1KMT2AALDH1A1KDM4E
SCHEMBL5873145 0.87 TACR3 (0.40) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL5873094 0.86 ADORA2A (0.37) PIM1

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 TSHR 4305/4885USP2 3101/4885HPGD 378/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B TSHR 4305/4885USP2 3101/4885HPGD 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.