SCHEMBL2904249

SCHEMBL2904249

CC1CNCc2ccc(N3CCOC[C@H]3C)nc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATR Q13535 10/20 0.44
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PDE4D Q08499 4/20 0.39
PDPK1 O15530 2/20 0.39
ROCK1 Q13464 2/20 0.39
AURKB Q96GD4 2/20 0.39
AURKA O14965 1/20 0.39
PIK3C3 Q8NEB9 4/20 0.38
ATRIP Q8WXE1 6/20 0.38
CHEK1 O14757 3/20 0.38
PDCD1 Q15116 3/20 0.38
CD274 Q9NZQ7 3/20 0.38

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
Hydrochloric Acid SCHEMBL2909842 0.99 ATR (0.43) ATRPIK3CDPIK3CAPDE4DPDPK1
Hydrochloric Acid SCHEMBL2907606 0.99 ATR (0.43) ATRPIK3CDPIK3CAPDE4DPDPK1
Hydrochloric Acid SCHEMBL2907605 0.99 ATR (0.43) ATRPIK3CDPIK3CAPDE4DPDPK1
SCHEMBL13090263 0.86 AURKA (0.41) ATRPIK3CDPIK3CAPDPK1AURKA
Hydrochloric Acid SCHEMBL2904817 0.85 AURKA (0.40) ATRPIK3CDPIK3CAPDPK1AURKA
Hydrochloric Acid SCHEMBL2904814 0.85 AURKA (0.40) ATRPIK3CDPIK3CAPDPK1AURKA
Hydrochloric Acid SCHEMBL2911373 0.85 AURKA (0.40) ATRPIK3CDPIK3CAPDPK1AURKA
SCHEMBL13090264 0.84 MTOR (0.36) ATRPIK3CAPDPK1AURKAATRIP
Hydrochloric Acid SCHEMBL2910369 0.83 MTOR (0.35) ATRPIK3CAPDPK1AURKA
SCHEMBL2904478 0.82 GAA (0.38) ATRATRIP

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-2789338-A2 Condensed pyridine derivate and use thereof Takeda Pharmaceutical Company Limited (JP) 2014-10-15 EP disclosed
EP-2789338-A2 Condensed pyridine derivate and use thereof Takeda Pharmaceutical Company Limited (JP) 2014-10-15 EP disclosed
US-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-21 US disclosed
US-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-21 US disclosed
US-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-21 US disclosed
EP-2216023-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-08-11 EP 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-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF HTR2C, HTR5A, HTR3C ATR 3661/4885PIK3CD 2931/4885PIK3CA 3931/4885

“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.