SCHEMBL1106448

SCHEMBL1106448

CC(C)n1c(CN(C)C)nc2cnccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.51
HTT P42858 1/20 0.51
NCOA1 Q15788 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
RPS6KA5 O75582 4/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2A6 P11509 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL1106479 0.88 USP2 (0.39) USP2HTTNCOA1NCOA3POLB
SCHEMBL20088737 0.83 USP2 (0.55) USP2HTTNCOA1NCOA3RPS6KA5
SCHEMBL1106450 0.82 USP2 (0.54) USP2HTTNCOA1NCOA3RPS6KA5
SCHEMBL14706654 0.80 ATM (0.49) USP2RPS6KA5POLBALDH1A1LMNA
SCHEMBL1106618 0.74 USP2 (0.63) USP2HTTNCOA1NCOA3RPS6KA5
SCHEMBL21925854 0.73 USP2 (0.57) USP2HTTNCOA1NCOA3RPS6KA5
SCHEMBL12730139 0.73 USP2 (0.57) USP2HTTNCOA1NCOA3RPS6KA5
SCHEMBL20088740 0.71 USP2 (0.55) USP2HTTNCOA1NCOA3RPS6KA5
SCHEMBL10313053 0.71 SMN1; SMN2 (0.44) USP2ALDH1A1LMNAKDM4ENPC1
SCHEMBL1106472 0.71 POLB (0.39) POLBALDH1A1LMNAKDM4ENPC1

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 10 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
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.