SCHEMBL1014077

SCHEMBL1014077

Cc1ncc(C(=O)NC2CC2)c(C)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.48
LMNA P02545 1/20 0.46
NR3C1 P04150 2/20 0.45
HSD11B1 P28845 2/20 0.43
FLT3 P36888 1/20 0.43
TYRO3 Q06418 1/20 0.43
MERTK Q12866 1/20 0.43
GAS6 Q14393 1/20 0.43
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
CRHR1 P34998 3/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
PDE4B Q07343 1/20 0.41

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
SCHEMBL1013682 0.94 LMNA (0.54) LMNANR3C1HPGDRAB9ANPC1
SCHEMBL1016181 0.92 LMNA (0.56) LMNANR3C1HPGDRAB9ANPC1
SCHEMBL1014942 0.92 LMNA (0.56) LMNANR3C1HPGDRAB9ANPC1
SCHEMBL1017876 0.92 LMNA (0.56) LMNANR3C1HPGDRAB9ANPC1
SCHEMBL1015331 0.82 FLT3 (0.45) SMYD3LMNANR3C1FLT3TYRO3
SCHEMBL1014078 0.77 HPGD (0.56) LMNANR3C1FLT3TYRO3MERTK
SCHEMBL541539 0.77 FLT3 (0.53) LMNANR3C1FLT3TYRO3MERTK
SCHEMBL1014628 0.76 RAB9A (0.53) LMNANR3C1HPGDRAB9ANPC1
SCHEMBL1015585 0.76 RAB9A (0.53) LMNANR3C1HPGDRAB9ANPC1
SCHEMBL1018675 0.76 HPGD (0.55) LMNANR3C1FLT3TYRO3MERTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102066335-A Substituted pyrimidin-5-carboxamides 281 ASTRAZENECA AB 2011-05-18 CN disclosed
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 SMYD3 2583/4885LMNA 4185/4885NR3C1 971/4885

“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.