SCHEMBL5872779

SCHEMBL5872779

Cc1sc(-c2n[nH]c3ccccc23)nc1-c1ccc(OCCN(C)C)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.41
HRH3 Q9Y5N1 2/20 0.38
CDK1 P06493 1/20 0.37
KDR P35968 1/20 0.37
ATP4A P20648 2/20 0.37
ATP4B P51164 2/20 0.37
ACVR1B P36896 1/20 0.37
TGFBR1 P36897 1/20 0.37
ATM Q13315 2/20 0.37
ACHE P22303 1/20 0.36
ACVR1 Q04771 1/20 0.36
IDO1 P14902 2/20 0.36
LRRK2 Q5S007 2/20 0.36
FYN P06241 1/20 0.36
HTR1B P28222 1/20 0.36
WNT1 P04628 1/20 0.35
ATR Q13535 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALPL P05186 1/20 0.34

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
SCHEMBL5873219 0.89 NAMPT (0.38) ATP4AATP4BIDO1LRRK2KDM4E
SCHEMBL5873030 0.88 TDO2 (0.41) TDO2CDK1KDRACVR1BTGFBR1
SCHEMBL5872943 0.81 ALDH1A1 (0.43) HRH3LRRK2ALDH1A1
SCHEMBL5873036 0.79 IDO1 (0.43) IDO1LRRK2KDM4EALDH1A1ALPL
SCHEMBL5777277 0.75 KDM4E (0.63) IDO1LRRK2KDM4EALDH1A1ALPL
SCHEMBL5776631 0.74 IDO1 (0.50) IDO1LRRK2KDM4EALDH1A1ALPL
SCHEMBL5872968 0.74 IDO1 (0.68) TDO2TGFBR1IDO1LRRK2WNT1
SCHEMBL5873090 0.72 PLK4 (0.47) KDRTGFBR1ACVR1
SCHEMBL6506307 0.71 LRRK2 (0.53) KDRLRRK2ATR
SCHEMBL5872887 0.70 ACVR1 (0.44) TGFBR1ACVR1

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 TDO2 191/4885HRH3 3974/4885CDK1 225/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B TDO2 191/4885HRH3 3974/4885CDK1 225/4885

“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.