SCHEMBL1013115

SCHEMBL1013115

COC(=O)c1cnc(C)nc1-c1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
TSHR P16473 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CNR1 P21554 1/20 0.43
MEN1 O00255 2/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GPBAR1 Q8TDU6 1/20 0.42
NTRK1 P04629 2/20 0.41
DHODH Q02127 1/20 0.41
EPAS1 Q99814 1/20 0.40
ALPL P05186 1/20 0.40

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
SCHEMBL2733287 0.87 ALDH1A1 (0.55) KMT2ATSHRLMNAKDM4EALDH1A1
SCHEMBL29058649 0.85 EPAS1 (0.54) KMT2ATSHRLMNAGAAHTT
SCHEMBL30395777 0.85 EPAS1 (0.54) KMT2ATSHRLMNAGAAHTT
SCHEMBL1016143 0.85 KMT2A (0.58) KMT2AHTTALDH1A1HSD17B10CNR1
SCHEMBL13667451 0.83 KMT2A (0.53) KMT2AGAAHTTKDM4EALDH1A1
SCHEMBL1015675 0.80 NTRK1 (0.58) KMT2ALMNAALDH1A1NPSR1MEN1
SCHEMBL30395438 0.80 SLC6A4 (0.44) KMT2ATSHRLMNAGAAHTT
SCHEMBL6643973 0.78 SMN1; SMN2 (0.55) KMT2ALMNAGAAKDM4EALDH1A1
SCHEMBL1014652 0.78 ALDH1A1 (0.45) KMT2ATSHRLMNAKDM4EALDH1A1
SCHEMBL2951237 0.76 ALDH1A1 (0.55) KMT2ATSHRLMNAKDM4EALDH1A1

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 7 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
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 KMT2A 1860/4885TSHR 2468/4885LMNA 4185/4885

“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.