SCHEMBL1014810

SCHEMBL1014810

COC(=O)c1cnc(C)nc1C1CCCO1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.44
KDM4E B2RXH2 6/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 6/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 3/20 0.39
HSD11B1 P28845 5/20 0.38
OPRK1 P41145 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 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
SCHEMBL4298013 0.85 HSD11B1 (0.38) SMN1; SMN2HPGDHSD11B1KMT2A
SCHEMBL1014372 0.84 PDE4B (0.42) CFTRKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL1013988 0.84 PDE4B (0.42) CFTRKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL1013989 0.84 PDE4B (0.42) CFTRKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL1013142 0.80 HSD11B1 (0.52) KDM4EALDH1A1HPGDHSD17B10HSD11B1
SCHEMBL1014094 0.79 HSD11B1 (0.50) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL1015452 0.79 HSD11B1 (0.62) CFTRKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL1015147 0.79 HSD11B1 (0.62) CFTRKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL1015145 0.79 HSD11B1 (0.62) CFTRKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL5220725 0.75 CFTR (0.39) CFTRKDM4ESMN1; SMN2ALDH1A1HPGD

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 CFTR 2293/4885KDM4E 1727/4885SMN1; SMN2 2203/4885

“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.