SCHEMBL5872880

SCHEMBL5872880

Cc1cccc2c(-c3nc(C(=O)N4CCCCC4)c(-c4cccnc4)s3)n[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.43
HPGD P15428 3/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PIM1 P11309 2/20 0.38
HTR2C P28335 1/20 0.38
ADORA2B P29275 4/20 0.37
ADORA2A P29274 3/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
KDM5A P29375 1/20 0.36
CES2 O00748 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
SCHEMBL5872940 0.93 MKNK1 (0.42) CYP2C9HPGDPIM1HTR2CDRD2
SCHEMBL5795447 0.92 PIM1 (0.41) ALDH1A1HTTPIM1HTR2CDRD2
SCHEMBL5872872 0.92 MKNK1 (0.45) HTTPIM1HTR2CDRD2DRD3
SCHEMBL5872873 0.92 CYP2C9 (0.47) CYP2C9PIM1KDM5A
SCHEMBL5773190 0.91 HTR2C (0.45) HPGDALDH1A1HTTPIM1HTR2C
SCHEMBL5873211 0.91 CYP2C9 (0.48) CYP2C9PIM1KDM5A
SCHEMBL5774021 0.89 NPC1 (0.44) CYP2C9HPGDALDH1A1TSHRHTT
SCHEMBL5769674 0.89 PIM1 (0.40) CYP2C9ALDH1A1HTTPIM1KDM5A
SCHEMBL5772558 0.89 ADORA2A (0.39) HTTPIM1ADORA2BADORA2AKDM5A
SCHEMBL5873060 0.88 DYRK1A (0.40) CYP2C9PIM1KDM5A

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 CYP2C9 695/4885HPGD 378/4885ALDH1A1 2272/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B CYP2C9 695/4885HPGD 378/4885ALDH1A1 2272/4885

“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.