SCHEMBL2122983

SCHEMBL2122983

COc1ncccc1-c1ccon1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.44
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
HRH4 Q9H3N8 1/20 0.40
GABRA1 P14867 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ELANE P08246 1/20 0.39
CHRNA7 P36544 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
APLNR P35414 1/20 0.38
DHODH Q02127 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL28715306 0.77 MKNK1 (0.39) RAB9ANPC1ELANEL3MBTL1DHODH
SCHEMBL16481976 0.74 BTK (0.42) BTKRAB9ANPC1HRH4GABRA1
SCHEMBL2121707 0.74 BTK (0.42) BTKRAB9ANPC1HRH4CA1
SCHEMBL14877222 0.74 POLB (0.36) RAB9ANPC1CA1CA2DHODH
SCHEMBL29840676 0.74 METAP2 (0.49) RAB9ANPC1CA1CA2L3MBTL1
SCHEMBL2124969 0.74 METAP2 (0.49) RAB9ANPC1CA1CA2L3MBTL1
SCHEMBL29335082 0.74 MAPT (0.40) NPC1DHODHCYP1A2CYP2D6CYP19A1
SCHEMBL1807936 0.74 TRIM24 (0.36) RAB9ANPC1L3MBTL1CYP1A2CYP2D6
SCHEMBL6206420 0.73 BTK (0.44) BTKRAB9ANPC1HRH4CA1
SCHEMBL15344911 0.73 CCR1 (0.52) BTKRAB9ANPC1HRH4GABRA1

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-20120095011-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2012-04-19 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-20120095011-A1 NOVEL COMPOUNDS C1R, TBXA2R, F12 BTK 3365/4885RAB9A 618/4885NPC1 376/4885

“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.