SCHEMBL1013169

SCHEMBL1013169

COC(=O)c1cnc(SC)nc1C1CC(F)(F)C1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TP53 P04637 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
PDE4B Q07343 3/20 0.38
SYK P43405 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
AHR P35869 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL1015391 0.86 MEN1 (0.41) ALDH1A1MEN1KMT2APDE4BPOLB
SCHEMBL29483810 0.85 PDE4B (0.43) ALDH1A1TP53MEN1KMT2APDE4B
SCHEMBL25308090 0.85 PDE4B (0.43) ALDH1A1TP53MEN1KMT2APDE4B
SCHEMBL1015686 0.83 MEN1 (0.43) ALDH1A1TP53MEN1KMT2APDE4B
SCHEMBL1013236 0.83 MEN1 (0.43) ALDH1A1TP53MEN1KMT2APDE4B
SCHEMBL1014879 0.83 HSD11B1 (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1014489 0.82 MEN1 (0.42) ALDH1A1TP53MEN1KMT2APDE4B
SCHEMBL1015701 0.74 HSD11B1 (0.63)
SCHEMBL1015700 0.74 HSD11B1 (0.63)
SCHEMBL1014732 0.74 HSD11B1 (0.43) SYKMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271629-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 AstraZeneca AB (SE) 2011-01-12 EP disclosed
WO-2009130496-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-29 WO disclosed
WO-2009130496-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-29 WO disclosed
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-22 US disclosed
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-22 US disclosed
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-22 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-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 CYP2S1, HSD11B1, HSD3B1 ALDH1A1 53/4885TP53 4717/4885MEN1 1994/4885

“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.