SCHEMBL5771568

SCHEMBL5771568

Cc1cccc2c(-c3nc(C(=O)N4CCN(C)CC4)c(-c4cccc(F)c4)s3)n[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.42
HRH4 Q9H3N8 5/20 0.42
HCRTR1 O43613 6/20 0.40
HCRTR2 O43614 6/20 0.40
KDR P35968 1/20 0.40
TNKS O95271 1/20 0.39
HTR2C P28335 1/20 0.38
ADORA2B P29275 1/20 0.38
DYRK1A Q13627 1/20 0.38
NTRK1 P04629 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
GRM5 P41594 1/20 0.37

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
SCHEMBL5770792 0.94 HRH4 (0.42) MAP4K4HRH4HCRTR1HCRTR2KDR
SCHEMBL5770583 0.91 HCRTR1 (0.42) HRH4HCRTR1HCRTR2HTR2C
SCHEMBL5772442 0.91 HRH4 (0.43) HRH4HCRTR1HCRTR2KDRTNKS
SCHEMBL5771577 0.89 HRH4 (0.41) HRH4KDRTNKSHTR2C
SCHEMBL5795447 0.86 PIM1 (0.41) HRH4KDRTNKSHTR2CDYRK1A
SCHEMBL5873005 0.83 KCNH2 (0.44) HRH4HCRTR1HCRTR2TNKSHTR2C
SCHEMBL5770483 0.82 RPS6KB1 (0.40) HCRTR1HCRTR2DYRK1ATRPM8
SCHEMBL5873073 0.82 PIM1 (0.40) HCRTR1HCRTR2KDRTNKSDYRK1A
SCHEMBL5773249 0.81 HCRTR1 (0.42) HCRTR1HCRTR2HTR2CADORA2B
SCHEMBL5872946 0.78 HRH4 (0.40) HRH4HCRTR1HCRTR2KDRDYRK1A

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
EP-1664040-A1 GYRASE INHIBITORS PFIZER INC. (US) 2006-06-07 EP disclosed
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-2005026162-A1 GYRASE INHIBITORS PFIZER INC. (US) 2005-03-24 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 MAP4K4 2320/4885HRH4 4233/4885HCRTR1 4881/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B MAP4K4 2320/4885HRH4 4233/4885HCRTR1 4881/4885

“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.