SCHEMBL13063871

SCHEMBL13063871

Cc1c(-c2ccc(N3CCNCC3)nc2)nc2cc(F)cc(F)c2c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.42
CACNA1C Q13936 1/20 0.42
ASIC3 Q9UHC3 1/20 0.42
TLR9 Q9NR96 2/20 0.42
TLR8 Q9NR97 2/20 0.42
TLR7 Q9NYK1 2/20 0.42
ATR Q13535 1/20 0.41
NTRK1 P04629 5/20 0.40
BMPR1B O00238 1/20 0.40
BMPR1A P36894 1/20 0.40
ACVR1B P36896 1/20 0.40
ACVR1 Q04771 1/20 0.40
HDAC2 Q92769 2/20 0.39
RET P07949 2/20 0.39
CNR2 P34972 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL2713263 0.91 JAK2 (0.45) KCNH2CACNA1CASIC3TLR9TLR8
SCHEMBL2711862 0.81 CNR2 (0.46) TLR9TLR8TLR7RETCNR2
SCHEMBL13063681 0.80 MCHR1 (0.47) ATRPIK3CA
SCHEMBL2711326 0.80 CNR2 (0.48) TLR9TLR8TLR7ACVR1CNR2
SCHEMBL2711514 0.79 TDO2 (0.44) KCNH2TLR9TLR8TLR7RET
SCHEMBL2711883 0.78 PIK3CD (0.50) KCNH2CACNA1CASIC3PIK3CA
SCHEMBL2712479 0.78 CNR2 (0.48) KCNH2CNR2PIK3CA
SCHEMBL2713583 0.78 NMT1 (0.43) TLR9TLR8TLR7ATR
SCHEMBL2711481 0.78 PIK3CD (0.56) PIK3CA
SCHEMBL2711214 0.78 HDAC6 (0.39) KCNH2CNR2

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-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 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-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 KCNH2 3410/4885CACNA1C 3980/4885ASIC3 3493/4885

“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.