SCHEMBL13090263

SCHEMBL13090263

CC[C@@H]1COCCN1c1ccc2c(n1)C(C)CNC2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.41
PDPK1 O15530 1/20 0.41
MTOR P42345 9/20 0.38
PIK3CA P42336 7/20 0.38
ATR Q13535 4/20 0.37
PIK3R1 P27986 2/20 0.36
MAP4K1 Q92918 1/20 0.31
HTR3A P46098 1/20 0.31
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
CHEK1 O14757 1/20 0.31
PDCD1 Q15116 1/20 0.31
ATRIP Q8WXE1 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
PIK3CD O00329 2/20 0.31
ATM Q13315 1/20 0.31

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 SCHEMBL2911373 0.99 AURKA (0.40) AURKAPDPK1MTORPIK3CAATR
Hydrochloric Acid SCHEMBL2904817 0.99 AURKA (0.40) AURKAPDPK1MTORPIK3CAATR
Hydrochloric Acid SCHEMBL2904814 0.99 AURKA (0.40) AURKAPDPK1MTORPIK3CAATR
SCHEMBL13090264 0.91 MTOR (0.36) AURKAPDPK1MTORPIK3CAATR
Hydrochloric Acid SCHEMBL2910369 0.90 MTOR (0.35) AURKAPDPK1MTORPIK3CAATR
SCHEMBL2904249 0.86 ATR (0.44) AURKAPDPK1PIK3CAATRCHEK1
Hydrochloric Acid SCHEMBL2907606 0.85 ATR (0.43) AURKAPDPK1PIK3CAATRCHEK1
Hydrochloric Acid SCHEMBL2909842 0.85 ATR (0.43) AURKAPDPK1PIK3CAATRCHEK1
Hydrochloric Acid SCHEMBL2907605 0.85 ATR (0.43) AURKAPDPK1PIK3CAATRCHEK1
Hydrochloric Acid SCHEMBL2904797 0.79 AURKA (0.41) AURKAPDPK1MTORPIK3CAATR

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-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

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 AURKA 4153/4885PDPK1 1501/4885MTOR 1470/4885

“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.