SCHEMBL5787665

SCHEMBL5787665

CCC(c1nc2onc(C)c2c(=O)n1Cc1ccccc1)N(CCC#N)S(=O)(=O)c1cccc(C)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 13/20 0.52
ALDH1A1 P00352 5/20 0.39
TSHR P16473 3/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 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
SCHEMBL5899049 0.95 KIF11 (0.52) KIF11ALDH1A1TSHRATMMEN1
SCHEMBL5899077 0.94 KIF11 (0.54) KIF11ALDH1A1TSHRATMPOLB
SCHEMBL5899064 0.92 KIF11 (0.57) KIF11
SCHEMBL5899063 0.90 KIF11 (0.51) KIF11ALDH1A1POLB
SCHEMBL4042910 0.89 KIF11 (0.64) KIF11
SCHEMBL5899015 0.88 KIF11 (0.49) KIF11ALDH1A1POLBLMNASMN1; SMN2
SCHEMBL4037105 0.88 KIF11 (0.56) KIF11
SCHEMBL5899039 0.88 KIF11 (0.49) KIF11ALDH1A1TSHRMEN1KMT2A
SCHEMBL5787670 0.87 ALDH1A1 (0.40) KIF11ALDH1A1TSHRATMMEN1
SCHEMBL4036044 0.86 KIF11 (0.55) KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022850-B2 Bicyclicpyrimidones and their use to treat diseases BRISTOL-MYERS SQUIBB CO. (US) 2006-04-04 US disclosed
EP-1628981-A2 BICYCLICPYRIMIDONES AND THEIR USE TO TREAT DISEASES Bristol-Myers Squibb Company (US) 2006-03-01 EP disclosed
WO-2004106492-A2 BICYCLICPYRIMIDONES AND THEIR USE TO TREAT DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-09 WO disclosed
US-20040242596-A1 Bicyclicpyrimidones and their use to treat diseases BRISTOL-MYERS SQUIBB COMPANY 2004-12-02 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-20040242596-A1 Bicyclicpyrimidones and their use to treat diseases CCNB1, CCNB2, CCNI KIF11 257/4885ALDH1A1 1375/4885TSHR 4731/4885

“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.