SCHEMBL12707154

SCHEMBL12707154

CCCCNc1nc2cccc(-c3nc4cc(C(=O)OC)ccc4n3CCCC)c2n1CCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 2/20 0.57
▸ EHMT1 Q9H9B1 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ TLR7 Q9NYK1 2/20 0.42
▸ PTGER4 P35408 2/20 0.42
▸ MCHR1 Q99705 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ITK Q08881 1/20 0.40
▸ TLR8 Q9NR97 1/20 0.40

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
SCHEMBL12707091 0.94 KDM4E (0.48) EHMT2KDM4EPTGER4MCHR1IRAK4
SCHEMBL12707148 0.92 KDM4E (0.46) EHMT2KDM4EPTGER4MCHR1IRAK4
SCHEMBL12707204 0.90 EHMT2 (0.59) EHMT2EHMT1HDAC6PTGER4ADORA2A
SCHEMBL12707152 0.90 ADORA2A (0.51) EHMT2KDM4EPTGER4MCHR1IRAK4
SCHEMBL12707113 0.90 EHMT2 (0.53) EHMT2EHMT1HDAC6PTGER4ADORA2A
SCHEMBL12707153 0.89 EHMT2 (0.44) EHMT2KDM4EPTGER4MCHR1IRAK4
SCHEMBL12707150 0.88 CNR2 (0.46) EHMT2KDM4EPTGER4MCHR1IRAK4
SCHEMBL12707177 0.88 EHMT2 (0.56) EHMT2EHMT1HDAC6PTGER4ADORA2A
SCHEMBL12707098 0.88 EHMT2 (0.56) EHMT2EHMT1KDM4ETLR7PTGER4
SCHEMBL12707180 0.88 EHMT2 (0.54) EHMT2EHMT1HDAC6PTGER4ADORA2A

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-8383662-B2 Bicyclic heteroaryl compounds NATIONAL CHIAO TUNG UNIVERSITY (TW) 2013-02-26 — — US disclosed
US-8383662-B2 Bicyclic heteroaryl compounds NATIONAL CHIAO TUNG UNIVERSITY (TW) 2013-02-26 — — US disclosed
US-20110082143-A1 Bicyclic Heteroaryl Compounds NATIONAL TAIWAN UNIVERSITY (TW) 2011-04-07 — — US disclosed
US-20110082143-A1 Bicyclic Heteroaryl Compounds NATIONAL TAIWAN UNIVERSITY (TW) 2011-04-07 — — 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-20110082143-A1 Bicyclic Heteroaryl Compounds SDHA, CYP2F1, PAICS EHMT2 3089/4885EHMT1 3599/4885HDAC6 429/4885

“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.

Send feedback