SCHEMBL5771577

SCHEMBL5771577

Cc1cccc2c(-c3nc(C(=O)N4CCN(C)CC4)c(-c4ccc(F)c(O)c4)s3)n[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.41
PARP1 P09874 2/20 0.38
MAP4K1 Q92918 1/20 0.37
TNKS O95271 2/20 0.37
HTR2C P28335 1/20 0.37
KDR P35968 1/20 0.36
FGFR1 P11362 1/20 0.36
DDR2 Q16832 1/20 0.36
ERN1 O75460 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 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
SCHEMBL5772442 0.93 HRH4 (0.43) HRH4PARP1MAP4K1TNKSHTR2C
SCHEMBL5771568 0.89 MAP4K4 (0.42) HRH4TNKSHTR2CKDR
SCHEMBL5770583 0.89 HCRTR1 (0.42) HRH4HTR2CKDM4E
SCHEMBL5770792 0.88 HRH4 (0.42) HRH4PARP1TNKSHTR2CKDR
SCHEMBL5795447 0.82 PIM1 (0.41) HRH4TNKSHTR2CKDR
SCHEMBL5873005 0.81 KCNH2 (0.44) HRH4TNKSHTR2CKDM4E
SCHEMBL5773158 0.81 HCRTR1 (0.43)
SCHEMBL5769639 0.80 ATR (0.43)
SCHEMBL5872946 0.78 HRH4 (0.40) HRH4MAP4K1KDR
SCHEMBL5873073 0.76 PIM1 (0.40) MAP4K1TNKSKDR

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 HRH4 4233/4885PARP1 211/4885MAP4K1 2486/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B HRH4 4233/4885PARP1 211/4885MAP4K1 2486/4885

“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.