SCHEMBL9930610

SCHEMBL9930610

NC(=O)[C@@H]1OC(=O)N2c3cc(F)c(C4=CCN(C(=O)CO)CC4)cc3C[C@@H]12

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 11/20 0.36
CCNT1 O60563 10/20 0.36
MAPK1 P28482 1/20 0.33
WDR5 P61964 4/20 0.32
BTK Q06187 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
NTRK1 P04629 1/20 0.30

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
SCHEMBL14069434 1.00 CDK9 (0.36) CDK9CCNT1MAPK1WDR5BTK
SCHEMBL9929903 0.88 WDR5 (0.30) WDR5
SCHEMBL14069649 0.88 WDR5 (0.30) WDR5
SCHEMBL14069896 0.88 CCNT1 (0.37) CDK9CCNT1MAPK1WDR5BTK
SCHEMBL9929970 0.88 CCNT1 (0.37) CDK9CCNT1MAPK1WDR5BTK
SCHEMBL4555118 0.83 MAOA (0.39) CDK9CCNT1MAPK1WDR5BTK
SCHEMBL9930041 0.82 MAOB (0.47) CDK9CCNT1MAPK1WDR5BTK
SCHEMBL9930385 0.82 CCNT1 (0.36) CDK9CCNT1MAPK1WDR5
SCHEMBL9929656 0.81 MAOA (0.39) CDK9CCNT1MAPK1WDR5BTK
SCHEMBL9968668 0.81 CCNT1 (0.40) CDK9CCNT1WDR5BTK

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-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 US disclosed
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 US disclosed
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 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 (1 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-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections NISCH, NOD1, NQO1 CDK9 1980/4885CCNT1 775/4885MAPK1 3022/4885

“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.