SCHEMBL1013775

SCHEMBL1013775

COc1ccc(CNc2ncc(C(=O)NC3CCCCC3)c(C)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TYRO3 Q06418 2/20 0.53
CNR2 P34972 2/20 0.53
ABHD6 Q9BV23 1/20 0.53
EPHX2 P34913 1/20 0.52
CNR1 P21554 2/20 0.51
HPGD P15428 2/20 0.48
HPGDS O60760 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CHEK1 O14757 1/20 0.48
IKBKB O14920 1/20 0.48
AURKA O14965 1/20 0.48
PAK4 O96013 1/20 0.48
CHEK2 O96017 1/20 0.48

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
SCHEMBL1015199 1.00 NPC1 (0.55) NPC1RAB9ASMN1; SMN2TYRO3CNR2
SCHEMBL1012283 0.99 TYRO3 (0.54) NPC1RAB9ASMN1; SMN2TYRO3CNR2
SCHEMBL1014954 0.88 TYRO3 (0.53) NPC1RAB9ASMN1; SMN2TYRO3HPGDS
SCHEMBL1015521 0.88 TYRO3 (0.53) NPC1RAB9ASMN1; SMN2TYRO3HPGDS
SCHEMBL1014913 0.87 RAB9A (0.58) NPC1RAB9ASMN1; SMN2TYRO3CNR2
SCHEMBL1015403 0.87 RAB9A (0.58) NPC1RAB9ASMN1; SMN2TYRO3CNR2
SCHEMBL1015261 0.87 TYRO3 (0.54) RAB9ASMN1; SMN2TYRO3HPGDSALDH1A1
SCHEMBL1013869 0.86 RAB9A (0.60) NPC1RAB9ASMN1; SMN2TYRO3CNR2
SCHEMBL1016069 0.82 TYRO3 (0.69) RAB9ATYRO3HPGDMEN1ALDH1A1
SCHEMBL1015098 0.81 TYRO3 (0.70) RAB9ATYRO3MEN1KMT2ACHEK1

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
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

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 NPC1 1075/4885RAB9A 1947/4885SMN1; 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.