SCHEMBL5873102

SCHEMBL5873102

Cc1cccc2c(-c3nc(C(=O)N(C)C4CCN(C)C4)c(-c4cccnc4)s3)n[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.49
MCHR1 Q99705 9/20 0.40
WNT1 P04628 2/20 0.36
MAP4K4 O95819 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PIM1 P11309 2/20 0.35
POLR1A O95602 1/20 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
SCHEMBL5775521 0.95 DYRK1A (0.55) DYRK1AMCHR1WNT1PIM1
SCHEMBL5872781 0.91 DYRK1A (0.50) DYRK1AMCHR1WNT1MAP4K4HRH3
SCHEMBL5872934 0.86 DYRK1A (0.55) DYRK1AWNT1PIM1
SCHEMBL5768174 0.85 KDM5A (0.39) DYRK1AWNT1MAP4K4HRH3PIM1
SCHEMBL5772822 0.85 KDM5A (0.39) DYRK1AWNT1MAP4K4HRH3PIM1
SCHEMBL5774068 0.85 DYRK1A (0.39) DYRK1AWNT1PIM1
SCHEMBL5873060 0.84 DYRK1A (0.40) DYRK1AWNT1PIM1
SCHEMBL5768289 0.83 KDM4E (0.36) DYRK1A
SCHEMBL5771721 0.83 DYRK1A (0.41) DYRK1AWNT1PIM1
SCHEMBL5873091 0.82 KDM5A (0.41) DYRK1APIM1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005082885-A1 IMIDAZOLE BASED KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-09 WO claimed
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
WO-2005082885-A1 IMIDAZOLE BASED KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-09 WO 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 DYRK1A 1836/4885MCHR1 4828/4885WNT1 3712/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B DYRK1A 1836/4885MCHR1 4828/4885WNT1 3712/4885

“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.