SCHEMBL3044650

SCHEMBL3044650

CC(NCC1CC1)c1cc[c]cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.45
MAN2A1 Q16706 1/20 0.38
MAN1B1 Q9UKM7 1/20 0.38
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PARP1 P09874 1/20 0.36
POLB P06746 1/20 0.35
CYP3A4 P08684 2/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34
SMPD1 P17405 1/20 0.34
DRD1 P21728 1/20 0.34
TBXA2R P21731 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRM1 P35372 1/20 0.34

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
SCHEMBL28138387 0.91 HTT (0.43) SIGMAR1MAN2A1MAN1B1GAAL3MBTL1
SCHEMBL12410231 0.81 SIGMAR1 (0.61) SIGMAR1MAN2A1MAN1B1GAAL3MBTL1
SCHEMBL8794354 0.78 SIGMAR1 (0.45) SIGMAR1MAN2A1MAN1B1GAAL3MBTL1
SCHEMBL3927019 0.76 SLC6A4 (0.38) SIGMAR1CYP3A4CHRM2HTR1AADRA2A
SCHEMBL3042629 0.73 LMNA (0.44) SIGMAR1GAAPARP1CYP3A4CHRM2
SCHEMBL3681373 0.73 GAA (0.61) SIGMAR1MAN2A1MAN1B1GAAL3MBTL1
SCHEMBL3681375 0.73 GAA (0.61) SIGMAR1MAN2A1MAN1B1GAAL3MBTL1
SCHEMBL3041726 0.72 CYP3A4 (0.43) CYP3A4CHRM2HTR1AADRA2AADORA3
SCHEMBL10528067 0.71 GAA (0.46) SIGMAR1MAN2A1MAN1B1GAAL3MBTL1
SCHEMBL12982580 0.70 RIPK1 (0.35) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA (SE) 2010-08-26 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-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF SIGMAR1 4723/4885MAN2A1 2159/4885MAN1B1 3993/4885

“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.