SCHEMBL1106499

SCHEMBL1106499

CC(C)n1c(CN)nc2ccncc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
HTT P42858 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
RPS6KA5 O75582 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
AOC1 P19801 2/20 0.36
AOC3 Q16853 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
AOC2 O75106 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ENPP2 Q13822 1/20 0.35
NFATC1 O95644 1/20 0.34
GSK3B P49841 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
SCHEMBL1106450 0.88 USP2 (0.54) USP2HTTNCOA1NCOA3POLB
SCHEMBL1106479 0.82 USP2 (0.39) USP2HTTNCOA1NCOA3POLB
SCHEMBL10281995 0.79 MAPT (0.42) POLBMEN1KMT2ARPS6KA5LMNA
SCHEMBL1106470 0.77 USP2 (0.48) USP2HTTNCOA1NCOA3KMT2A
SCHEMBL1128856 0.76 USP2 (0.43) USP2HTTNCOA1NCOA3AAK1
SCHEMBL20088737 0.73 USP2 (0.55) USP2HTTNCOA1NCOA3POLB
SCHEMBL17897213 0.70 LMNA (0.44) POLBMEN1KMT2AAAK1ALDH1A1
SCHEMBL1106448 0.70 USP2 (0.51) USP2HTTNCOA1NCOA3POLB
SCHEMBL10281996 0.69 ATM (0.51) POLBRPS6KA5ALDH1A1LMNAKDM4E
SCHEMBL1106512 0.69 TP53 (0.43) POLBMEN1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 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-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 USP2 3423/4885HTT 3109/4885NCOA1 2942/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 USP2 3423/4885HTT 3109/4885NCOA1 2942/4885

“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.