SCHEMBL1014372

SCHEMBL1014372

COC(=O)c1cnc(SC)nc1[C@@H]1CCCO1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.42
CFTR P13569 1/20 0.42
TP53 P04637 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 5/20 0.38
HSD11B1 P28845 2/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 2/20 0.37
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE11A Q9HCR9 1/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SYK P43405 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
SCHEMBL1013988 1.00 PDE4B (0.42) PDE4BCFTRTP53MEN1KMT2A
SCHEMBL1013989 1.00 PDE4B (0.42) PDE4BCFTRTP53MEN1KMT2A
SCHEMBL1013178 0.86 MEN1 (0.40) PDE4BMEN1KMT2AKDM4EALDH1A1
SCHEMBL1013177 0.86 MEN1 (0.40) PDE4BMEN1KMT2AKDM4EALDH1A1
SCHEMBL1014376 0.86 MEN1 (0.40) PDE4BMEN1KMT2AKDM4EALDH1A1
SCHEMBL1014810 0.84 CFTR (0.44) CFTRTP53KMT2AKDM4ESMN1; SMN2
SCHEMBL1015686 0.81 MEN1 (0.43) PDE4BTP53MEN1KMT2ASMN1; SMN2
SCHEMBL1013236 0.81 MEN1 (0.43) PDE4BTP53MEN1KMT2ASMN1; SMN2
SCHEMBL25308090 0.81 PDE4B (0.43) PDE4BTP53MEN1KMT2ASMN1; SMN2
SCHEMBL29483810 0.81 PDE4B (0.43) PDE4BTP53MEN1KMT2ASMN1; 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 5 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
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 PDE4B 474/4885CFTR 2293/4885TP53 4717/4885

“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.