SCHEMBL5873002

SCHEMBL5873002

Cc1cccc2c(-c3nc(C(=O)N4CCC(O)C4)c(-c4ccc(N5CC(C)NC(C)C5)nc4)s3)n[nH]c12

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 11/20 0.34
FGFR1 P11362 7/20 0.34
FGFR2 P21802 7/20 0.34
FGFR3 P22607 6/20 0.34
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
SLC8A1 P32418 2/20 0.34
ADORA2B P29275 2/20 0.34
ADORA2A P29274 1/20 0.34
HDAC1 Q13547 1/20 0.33
BMPR1A P36894 2/20 0.33
TGFBR1 P36897 2/20 0.33
ACVRL1 P37023 2/20 0.33
HAMP P81172 2/20 0.33
CHEK1 O14757 1/20 0.32

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
SCHEMBL5774199 0.90 CNR2 (0.38) HCRTR1HCRTR2SLC8A1
SCHEMBL5772865 0.87 ADORA2B (0.38) HCRTR1HCRTR2SLC8A1ADORA2BADORA2A
SCHEMBL5770048 0.83 PIM1 (0.43) ADORA2B
SCHEMBL5768252 0.83 HCRTR1 (0.43) HCRTR1HCRTR2ADORA2BADORA2A
SCHEMBL5773158 0.83 HCRTR1 (0.43) HCRTR1HCRTR2ADORA2BADORA2A
SCHEMBL5773249 0.81 HCRTR1 (0.42) HCRTR1HCRTR2ADORA2BADORA2A
SCHEMBL5873053 0.79 KDM5A (0.37) HCRTR1HCRTR2
SCHEMBL5773738 0.79 ATR (0.42) HCRTR1HCRTR2
SCHEMBL5771644 0.79 ATR (0.42) HCRTR1HCRTR2
SCHEMBL5873142 0.78 ACVR1 (0.39) ACVR1FGFR1FGFR2FGFR3HDAC1

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 ACVR1 4477/4885FGFR1 3930/4885FGFR2 4280/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B ACVR1 4477/4885FGFR1 3930/4885FGFR2 4280/4885

“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.