SCHEMBL5873030

SCHEMBL5873030

Cc1nc(-c2n[nH]c3ccccc23)sc1-c1ccc(OCCN(C)C)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.41
CDK1 P06493 1/20 0.37
KDR P35968 1/20 0.37
TGFBR1 P36897 2/20 0.36
ACVR1B P36896 1/20 0.36
ATM Q13315 3/20 0.36
ACHE P22303 1/20 0.36
ACVR1 Q04771 1/20 0.36
FYN P06241 1/20 0.35
PIM1 P11309 1/20 0.35
HTR1B P28222 1/20 0.35
WNT1 P04628 2/20 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
GAA P10253 1/20 0.34
IDO1 P14902 1/20 0.34
HPGD P15428 1/20 0.34
TTK P33981 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
SCHEMBL5872779 0.88 TDO2 (0.41) TDO2CDK1KDRTGFBR1ACVR1B
SCHEMBL5774743 0.79 IDO1 (0.43) KDRPIM1KDM4EALDH1A1ALPL
SCHEMBL5873219 0.77 NAMPT (0.38) KDM4EALDH1A1ALPLGAAIDO1
SCHEMBL5872971 0.74 KDM4E (0.44) KDM4EALDH1A1ALPLGAAIDO1
SCHEMBL5872977 0.72 TNKS (0.46) TDO2KDRTGFBR1ACVR1BACVR1
SCHEMBL5872943 0.70 ALDH1A1 (0.43) ALDH1A1LRRK2
SCHEMBL5769801 0.70 ITK (0.48) KDM4EALDH1A1ALPLGAAIDO1
SCHEMBL5873029 0.69 ITK (0.43) KDRKDM4EALDH1A1ALPLGAA
SCHEMBL5773591 0.69 JAK2 (0.47) KDRKDM4EALDH1A1ALPLGAA
SCHEMBL5772793 0.69 JAK2 (0.43) KDRKDM4EALDH1A1ALPLGAA

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 191/4885CDK1 225/4885KDR 4741/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B TDO2 191/4885CDK1 225/4885KDR 4741/4885

“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.