SCHEMBL1106470

SCHEMBL1106470

Cc1nc2ccncc2n1C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.48
HTT P42858 1/20 0.48
NCOA1 Q15788 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CCNB1 P14635 1/20 0.39
CCND1 P24385 1/20 0.39
PDE2A O00408 3/20 0.39
EGFR P00533 4/20 0.38
KCNH2 Q12809 1/20 0.38
AOC3 Q16853 1/20 0.38
GSK3B P49841 2/20 0.37
DYRK1A Q13627 2/20 0.37
NFATC1 O95644 1/20 0.37
CSNK1E P49674 1/20 0.37
CLK1 P49759 1/20 0.37
CLK2 P49760 1/20 0.37

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
SCHEMBL1106618 0.86 USP2 (0.63) USP2HTTNCOA1NCOA3CYP11B1
SCHEMBL1128856 0.81 USP2 (0.43) USP2HTTNCOA1NCOA3CYP11B1
SCHEMBL1106499 0.77 USP2 (0.40) USP2HTTNCOA1NCOA3CYP11B1
SCHEMBL2854775 0.76 HSD17B10 (0.57) HTTGSK3BALDH1A1KDM4EKMT2A
SCHEMBL4776333 0.76 KDM4E (0.47) CYP11B1CYP11B2PDE2AKCNH2AOC3
SCHEMBL30589192 0.75 CYP11B1 (0.49) USP2HTTNCOA1NCOA3CYP11B1
SCHEMBL1106479 0.74 USP2 (0.39) USP2HTTNCOA1NCOA3CYP11B1
SCHEMBL19233981 0.74 RPS6KA5 (0.41) USP2HTTNCOA1NCOA3PDE2A
SCHEMBL19055889 0.74 PDE2A (0.41) PDE2AKCNH2AOC3RPS6KA5PDE4D
SCHEMBL23598170 0.73 CSNK1E (0.44) HTTCYP11B1CYP11B2CDK1CDK4

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 8 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
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.