SCHEMBL5741265

SCHEMBL5741265

NC(=O)c1c(C(F)(F)F)noc1N

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.40
IKBKB O14920 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
IDO1 P14902 1/20 0.31
POLB P06746 1/20 0.30
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL6610361 0.79 KMT2A (0.46) HSD17B10GAANPC1IDO1POLB
SCHEMBL4757756 0.79 LMNA (0.51) MLYCDCYP1A2CYP2C9LMNAHTT
SCHEMBL14072051 0.71 POLB (0.34) IKBKBCYP1A2CYP2C9LMNAHSD17B10
SCHEMBL3559531 0.69 POLB (0.50) CYP1A2CYP2C9LMNAHTTHSD17B10
SCHEMBL8764860 0.67 MLYCD (0.44) MLYCD
SCHEMBL6294438 0.67 MLYCD (0.40) MLYCDIDO1
SCHEMBL8439996 0.65 RET (0.38) MLYCDCYP1A2CYP2C9LMNAHSD17B10
SCHEMBL4754963 0.65 KDR (0.39) HTTHSD17B10KMT2AMEN1
SCHEMBL28541453 0.65 CYP1A2 (0.46) MLYCDCYP1A2CYP2C9GAANPC1
SCHEMBL6614100 0.65 KMT2A (0.37) LMNAHTTGAANPC1SMN1; SMN2

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 MLYCD 2044/4885IKBKB 676/4885CYP1A2 1812/4885

“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.