SCHEMBL5578091

SCHEMBL5578091

COc1cccc(F)c1C(=O)Nc1c[nH]nc1-c1nc(C(F)(F)F)c(C)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.44
SRC P12931 1/20 0.44
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
POLB P06746 2/20 0.40
RXFP1 Q9HBX9 1/20 0.39
KMT2A Q03164 5/20 0.38
MAPT P10636 5/20 0.38
MEN1 O00255 3/20 0.38
HCRTR1 O43613 2/20 0.38
GAA P10253 2/20 0.38
HCRTR2 O43614 1/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.37
RAB9A P51151 2/20 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
SCHEMBL5811804 0.88 TLR7 (0.43) RXFP1KMT2AMAPTMEN1GAA
SCHEMBL5814198 0.83 SCN8A (0.40) RXFP1MAPTLMNANPSR1CYP1A2
SCHEMBL5814720 0.82 LMNA (0.42) CCNA2CDK2POLBKMT2AMAPT
SCHEMBL8305589 0.81 KMT2A (0.56) ABL1SRCAURKAAURKBPOLB
SCHEMBL5111445 0.81 CCNA2 (0.45) ABL1SRCCCNA2CDK2AURKA
SCHEMBL5578113 0.80 MEN1 (0.43) CCNA2CDK2POLBKMT2AMAPT
SCHEMBL14511716 0.79 KCNMA1 (0.48) POLBKMT2AMAPTMEN1KDM4E
SCHEMBL5578253 0.79 MEN1 (0.40) CCNA2CDK2POLBKMT2AMAPT
SCHEMBL5106436 0.78 ABL1 (0.43) ABL1SRCCCNA2CDK2AURKA
SCHEMBL14511713 0.76 CCNA2 (0.38) ABL1SRCCCNA2CDK2AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 US disclosed
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 US disclosed
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 ABL1 511/4885SRC 926/4885CCNA2 37/4885

“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.