SCHEMBL5578299

SCHEMBL5578299

O=C(Nc1c[nH]nc1-c1nc(-c2ccc(F)cc2)c[nH]1)c1c(F)cccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.43
CDK2 P24941 3/20 0.43
CCNB1 P14635 2/20 0.43
CCNA2 P20248 2/20 0.43
CCNA1 P78396 1/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ABL1 P00519 2/20 0.40
ROCK1 Q13464 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
STK17A Q9UEE5 2/20 0.40
DYRK3 O43781 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
EGFR P00533 1/20 0.40
NTRK1 P04629 1/20 0.40
PRKCG P05129 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
FES P07332 1/20 0.40

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
SCHEMBL5578150 0.93 CDK1 (0.45) CDK1CDK2CCNB1CCNA2CCNA1
SCHEMBL5578275 0.91 JAK2 (0.46) CDK1CDK2CCNB1CCNA2CCNA1
SCHEMBL5578220 0.88 CDK1 (0.41) CDK1CDK2CCNB1CCNA2CCNA1
SCHEMBL5579242 0.86 ABL1 (0.38) CDK1CDK2MEN1KMT2AABL1
SCHEMBL5578274 0.85 NPC1 (0.43) CDK2ABL1ROCK1MAP4K4EGFR
SCHEMBL5578316 0.85 RAB9A (0.50) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL5578239 0.82 THRB (0.41) CDK1CDK2MEN1KMT2AABL1
SCHEMBL14511655 0.80 CDK1 (0.44) CDK1CDK2CCNB1CCNA2CCNA1
SCHEMBL5579217 0.80 MEN1 (0.41) CDK1CDK2CCNB1CCNA2CCNA1
SCHEMBL12659647 0.80 MAPT (0.39) MEN1KMT2AMAPTTHRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 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-20070105900-A1 Pharmaceutical compounds AURKA, AURKC, CDK1 CDK1 3/4885CDK2 5/4885CCNB1 32/4885

“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.