SCHEMBL10249302

SCHEMBL10249302

CCCn1c(-c2ccncc2)nc2ccc(C)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.52
RORC P51449 5/20 0.50
TLR8 Q9NR97 1/20 0.50
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
TSHR P16473 2/20 0.48
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 1/20 0.47
TP53 P04637 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 1/20 0.46
NLRP3 Q96P20 1/20 0.46
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL10249212 0.89 NLRP3 (0.59) AAK1RORCTLR8KDM4EALDH1A1
SCHEMBL10252666 0.88 NLRP3 (0.58) AAK1RORCTLR8KDM4EALDH1A1
SCHEMBL8108534 0.86 TLR8 (0.59) RORCTLR8KDM4EALDH1A1LMNA
SCHEMBL29412064 0.83 RORC (0.54) RORCKDM4EALDH1A1LMNAMAPT
SCHEMBL356842 0.83 S1PR1 (0.47) AAK1KDM4EALDH1A1LMNATSHR
SCHEMBL29412114 0.81 RORC (0.48) RORCTLR8ALDH1A1MAPTTP53
SCHEMBL10248874 0.80 MEN1 (0.66) AAK1TLR8KDM4EALDH1A1LMNA
SCHEMBL29411986 0.80 TP53 (0.62) RORCKDM4EALDH1A1LMNANPSR1
SCHEMBL10252674 0.77 NLRP3 (0.76) AAK1TLR8KDM4EALDH1A1LMNA
SCHEMBL10249356 0.75 AAK1 (0.44) AAK1RORCTLR8KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461181-B2 Fused heterocyclic compound and use thereof SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2013-06-11 US disclosed
US-8273764-B2 Fused heterocyclic compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-25 US disclosed
US-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-07-12 US disclosed
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 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 (2 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-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 AAK1 2483/4885RORC 1366/4885TLR8 1828/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 AAK1 2483/4885RORC 1366/4885TLR8 1828/4885

“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.