SCHEMBL5578191

SCHEMBL5578191

Cc1nc(-c2n[nH]cc2NC(=O)c2c(F)cccc2F)[nH]c1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 2/20 0.39
POLB P06746 1/20 0.37
RAB9A P51151 3/20 0.36
CYP1A2 P05177 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 3/20 0.36
HTT P42858 2/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
NOD2 Q9HC29 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
ALDH1A1 P00352 3/20 0.35

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
SCHEMBL5578253 0.92 MEN1 (0.40) MEN1KMT2AGAAPOLBRAB9A
SCHEMBL5578113 0.87 MEN1 (0.43) MEN1KMT2AGAAPOLBRAB9A
SCHEMBL5578224 0.82 MEN1 (0.40) MEN1KMT2AGAAPOLBRAB9A
SCHEMBL5578476 0.82 KMT2A (0.47) MEN1KMT2AGAAPOLBRAB9A
SCHEMBL5579217 0.81 MEN1 (0.41) MEN1KMT2AGAAPOLBRAB9A
SCHEMBL8302368 0.80 MAPT (0.39) MEN1KMT2AGAAPOLBRAB9A
SCHEMBL14511679 0.80 BCL3 (0.40) RAB9ANPC1ALDH1A1KDM4E
SCHEMBL14511654 0.80 CDK2 (0.38) MEN1KMT2AGAAPOLBRAB9A
SCHEMBL1644743 0.80 CHEK1 (0.43) MEN1KMT2AGAAPOLBCYP1A2
SCHEMBL8299814 0.79 MGAM (0.48) MEN1KMT2AGAARAB9ACYP1A2

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 5 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
EP-1648449-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2006-04-26 EP disclosed
WO-2005002576-A2 IMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO 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 MEN1 1585/4885KMT2A 1706/4885GAA 402/4885

“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.