SCHEMBL4096687

SCHEMBL4096687

Cc1ccn(-c2cccc(N)c2F)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.47
MAPT P10636 4/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 4/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
TGFBR1 P36897 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HTT P42858 2/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
PIK3CA P42336 1/20 0.33
ATR Q13535 1/20 0.33

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
SCHEMBL23751435 0.82 TDO2 (0.53) TDO2MAPTRAB9ANPC1ATM
SCHEMBL4096686 0.77 MAPT (0.44) TDO2MAPTRAB9ANPC1ATM
SCHEMBL13078703 0.75 MAPT (0.52) TDO2MAPTRAB9ANPC1ATM
SCHEMBL997672 0.73 ALDH1A1 (0.50) TDO2MAPTRAB9ANPC1ATM
SCHEMBL10262760 0.71 ALDH1A1 (0.55) TDO2MAPTRAB9ANPC1ATM
SCHEMBL2627212 0.70 MAPT (0.50) TDO2MAPTRAB9ANPC1ATM
SCHEMBL14412227 0.69 MAPT (0.58) TDO2MAPTRAB9ANPC1ATM
SCHEMBL1813753 0.69 RAB9A (0.55) TDO2MAPTRAB9ANPC1ATM
SCHEMBL8243936 0.69 ALDH1A1 (0.53) TDO2MAPTRAB9ANPC1ATM
SCHEMBL28475929 0.69 MAPT (0.55) TDO2MAPTRAB9ANPC1ATM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221546-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE PFIZER INC 2009-09-03 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-20090221546-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE F11, F2, TFPI TDO2 3406/4885MAPT 4776/4885RAB9A 2273/4885

“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.