SCHEMBL938178

SCHEMBL938178

CCCCn1c(C)nc2cc(N)ccc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.70
RAD52 P43351 1/20 0.70
TLR8 Q9NR97 6/20 0.56
CDK9 P50750 1/20 0.50
DYRK1A Q13627 1/20 0.50
HTT P42858 3/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP1A2 P05177 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.46
RGS12 O14924 1/20 0.46
NPC1 O15118 1/20 0.46
USP2 O75604 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
BLM P54132 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
KEAP1 Q14145 1/20 0.46

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
SCHEMBL939056 0.88 TLR8 (0.56) KDM4ERAD52TLR8CDK9DYRK1A
SCHEMBL11442111 0.84 KDM4E (0.71) KDM4ERAD52TLR8HTTALDH1A1
SCHEMBL616998 0.84 KDM4E (0.97) KDM4ERAD52HTTALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL16736724 0.83 KDM4E (1.00) KDM4ERAD52HTTALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL6605580 0.83 KDM4E (1.00) KDM4ERAD52HTTALDH1A1CYP1A2
SCHEMBL24900472 0.81 KDM4E (0.64) KDM4ERAD52TLR8HTTALDH1A1
SCHEMBL30957519 0.81 KDM4E (0.64) KDM4ERAD52TLR8HTTALDH1A1
SCHEMBL29328857 0.79 TDP1 (0.74) KDM4ETLR8DYRK1AHTTALDH1A1
SCHEMBL1022300 0.78 TLR8 (0.69) TLR8HTTTSHRSMN1; SMN2TLR7
SCHEMBL22442338 0.77 HCAR3 (0.59) KDM4EHTTKMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009448-A1 Compound STERIX LIMITED 2011-01-13 US disclosed
US-7309715-B2 Compound STERIX LIMITED (GB) 2007-12-18 US disclosed
US-20040143124-A1 Compound STERIX LIMITED (GB) 2004-07-22 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-20110009448-A1 Compound NR4A1, GPR6, PRMT6 KDM4E 565/4885RAD52 947/4885TLR8 1267/4885
US-20040143124-A1 Compound NR4A1, CBR1, NR2C2 KDM4E 893/4885RAD52 762/4885TLR8 1189/4885

“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.