SCHEMBL9979339

SCHEMBL9979339

Nc1nc2c(c3c1nc1n3[C@@H](CCCNC(=O)Nc3ccccc3)COC1)CCCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
TSHR P16473 1/20 0.34
EPHX1 P07099 4/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
DOT1L Q8TEK3 1/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CCR3 P51677 1/20 0.33
HTT P42858 1/20 0.33
APP P05067 1/20 0.33
BCHE P06276 1/20 0.33

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
SCHEMBL9979143 0.85 TLR7 (0.38) BTKHDAC1HDAC8HDAC6EPHX1
SCHEMBL9979007 0.85
SCHEMBL9979134 0.85 ACHE (0.31) ACHE
SCHEMBL9979076 0.83 ACHE (0.30) ACHE
SCHEMBL9979223 0.82 BCHE (0.40) HDAC1KDM4EKMT2ALMNAALDH1A1
SCHEMBL9979293 0.82
SCHEMBL2515196 0.81 HTT (0.35) TSHRKDM4EMEN1KMT2ALMNA
SCHEMBL9979335 0.81
SCHEMBL11917655 0.78 TLR7 (0.32)
SCHEMBL9979300 0.76 TLR7 (0.38)

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-8350034-B2 Substituted chiral fused [1,2]imidazo[4,5-C] ring compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-01-08 US claimed
US-20110293654-A1 SUBSTITUTED CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMANY 2011-12-01 US claimed

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-20110293654-A1 SUBSTITUTED CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS IFNG, IL4, IFNAR1 BTK 2243/4885HDAC1 628/4885HDAC8 885/4885

“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.