SCHEMBL5873098

SCHEMBL5873098

Cc1cc(F)cc2c(-c3nc(C(=O)N4CCC(N(C)C)C4)c(-c4cccnc4)s3)n[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.39
DYRK1A Q13627 2/20 0.39
MAP4K4 O95819 1/20 0.39
ATR Q13535 5/20 0.37
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
WNT1 P04628 1/20 0.36
PIM1 P11309 5/20 0.35
HRH3 Q9Y5N1 3/20 0.35

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
SCHEMBL5873198 0.93 KDM5A (0.40) KDM5ADYRK1AMAP4K4ATRHCRTR1
SCHEMBL5772822 0.90 KDM5A (0.39) KDM5ADYRK1AMAP4K4ATRWNT1
SCHEMBL5768174 0.90 KDM5A (0.39) KDM5ADYRK1AMAP4K4ATRWNT1
SCHEMBL5769944 0.88 KDM5A (0.39) KDM5ADYRK1AMAP4K4ATRHCRTR1
SCHEMBL5771710 0.88 KDM5A (0.39) KDM5ADYRK1AMAP4K4ATRHCRTR1
SCHEMBL5872806 0.88 DYRK1A (0.41) KDM5ADYRK1AHCRTR1HCRTR2WNT1
SCHEMBL5873031 0.87 KDM5A (0.38) KDM5ADYRK1AATRHCRTR1HCRTR2
SCHEMBL5872921 0.87 KDM5A (0.39) KDM5ADYRK1AATRPIM1HRH3
SCHEMBL5774120 0.86 KDM5A (0.40) KDM5ADYRK1AATRHCRTR1HCRTR2
SCHEMBL5872896 0.86 HRH3 (0.39) KDM5ADYRK1AHCRTR1HCRTR2PIM1

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 KDM5A 2543/4885DYRK1A 1836/4885MAP4K4 2320/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B KDM5A 2543/4885DYRK1A 1836/4885MAP4K4 2320/4885

“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.