SCHEMBL1106450

SCHEMBL1106450

CC(C)n1c(CN)nc2cnccc21

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.54
HTT P42858 1/20 0.54
NCOA1 Q15788 1/20 0.54
NCOA3 Q9Y6Q9 1/20 0.54
RPS6KA5 O75582 7/20 0.47
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
DYRK1A Q13627 2/20 0.37
RPS6KB1 P23443 1/20 0.36
CDK2 P24941 1/20 0.36
ROCK1 Q13464 1/20 0.36
RPS6KA1 Q15418 1/20 0.36
AOC1 P19801 1/20 0.36
AOC3 Q16853 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
SCHEMBL1106499 0.88 USP2 (0.40) USP2HTTNCOA1NCOA3RPS6KA5
SCHEMBL20088737 0.86 USP2 (0.55) USP2HTTNCOA1NCOA3RPS6KA5
SCHEMBL1106448 0.82 USP2 (0.51) USP2HTTNCOA1NCOA3RPS6KA5
SCHEMBL10281996 0.79 ATM (0.51) RPS6KA5POLBATMDYRK1ARPS6KB1
SCHEMBL1106618 0.77 USP2 (0.63) USP2HTTNCOA1NCOA3RPS6KA5
SCHEMBL21925854 0.76 USP2 (0.57) USP2HTTNCOA1NCOA3RPS6KA5
SCHEMBL12730139 0.76 USP2 (0.57) USP2HTTNCOA1NCOA3RPS6KA5
SCHEMBL20088740 0.73 USP2 (0.55) USP2HTTNCOA1NCOA3RPS6KA5
SCHEMBL1106479 0.70 USP2 (0.39) USP2HTTNCOA1NCOA3POLB
SCHEMBL10281995 0.69 MAPT (0.42) RPS6KA5POLBMEN1KMT2AATM

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 7 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-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.