SCHEMBL1015675

SCHEMBL1015675

COC(=O)c1cnc(C)nc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 7/20 0.58
ALDH1A1 P00352 4/20 0.57
MAPT P10636 4/20 0.57
LMNA P02545 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPK1 P28482 1/20 0.57
ATM Q13315 1/20 0.57
HSD11B1 P28845 1/20 0.49
NTRK3 Q16288 3/20 0.49
TP53 P04637 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GABRA1 P14867 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
NTRK2 Q16620 1/20 0.46
AXL P30530 1/20 0.46

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
SCHEMBL6643973 0.85 SMN1; SMN2 (0.55) NTRK1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL1965857 0.85 ALDH1A1 (0.78) NTRK1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL400143 0.84 NTRK1 (0.60) NTRK1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL28927188 0.84 ALDH1A1 (0.52) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL16220580 0.83 NTRK1 (0.59) NTRK1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL2080586 0.82 ALDH1A1 (0.51) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL6637430 0.82 MAPT (0.50) NTRK1MAPTLMNA
SCHEMBL1013115 0.80 KMT2A (0.51) NTRK1ALDH1A1MAPTLMNAMEN1
SCHEMBL4177727 0.79 MAPT (0.59) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL12868320 0.79 NTRK1 (0.55) NTRK1ALDH1A1MAPTLMNASMN1; 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 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 NTRK1 4008/4885ALDH1A1 53/4885MAPT 4375/4885

“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.