SCHEMBL12338752

SCHEMBL12338752

COc1ccc(Cn2nc(N)c3c4c(cnc32)CN(C(=O)Cl)CC4)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
PDE8B O95263 2/20 0.39
PDE1B Q01064 3/20 0.38
KCNH2 Q12809 1/20 0.38
PDE10A Q9Y233 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
NR3C1 P04150 5/20 0.38
KCNK3 O14649 1/20 0.38
ABCB1 P08183 1/20 0.37
ABCC1 P33527 1/20 0.37
ALOX15 P16050 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AURKA O14965 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
TP53 P04637 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL2488863 0.83 ALDH1A1 (0.43) MAPK1PDE1BKCNH2PDE10ATAAR1
SCHEMBL13273533 0.80 HDAC8 (0.34) KCNK3
SCHEMBL12338757 0.77 PDE1B (0.43) PDE8BPDE1BNR3C1
SCHEMBL12315713 0.75 MAP4K1 (0.39) PDE1BNR3C1ALOX15
SCHEMBL2486745 0.72 ALDH1A1 (0.42) MAPK1PDE1BKCNH2PDE10AALOX15
SCHEMBL2488918 0.72 MAPT (0.51) ALOX15TP53
SCHEMBL2489970 0.71 KMT2A (0.48) TAAR1KCNK3ABCB1ABCC1ALOX15
SCHEMBL2802902 0.70 ADORA1 (0.44) MAPK1TAAR1KCNK3ALOX15
SCHEMBL2488683 0.70 FAAH (0.52) ALOX15CDK2
SCHEMBL2489943 0.69 ADORA1 (0.46) TAAR1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 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-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS NQO1, IDH3B, IDH1 MAPK1 3253/4885PDE8B 1989/4885PDE1B 3557/4885

“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.