SCHEMBL3399414

SCHEMBL3399414

CCn1cc(F)nc1-c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
TLR8 Q9NR97 1/20 0.41
HTR2C P28335 7/20 0.39
KMT2A Q03164 1/20 0.38
CNR2 P34972 1/20 0.38
HTR2A P28223 1/20 0.37
DHFR P00374 1/20 0.37
HSD11B1 P28845 1/20 0.36
CSNK1D P48730 1/20 0.36
CYP11B2 P19099 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DYRK1A Q13627 1/20 0.36
NISCH Q9Y2I1 1/20 0.36

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
SCHEMBL3404326 0.78 TLR8 (0.39) KDM4ETLR8HTR2CKMT2ACNR2
SCHEMBL3399762 0.75 KMT2A (0.45) KDM4EKMT2AALDH1A1LMNAHSD17B10
SCHEMBL3398412 0.74 PRKCB (0.41) KDM4ETLR8KMT2ACNR2ALDH1A1
SCHEMBL3401425 0.74 TDP1 (0.50) KDM4EKMT2AALDH1A1LMNAHSD17B10
SCHEMBL3399314 0.74 KMT2A (0.55) KDM4ETLR8HTR2CKMT2AHTR2A
SCHEMBL3402431 0.71 CCND1 (0.40) KDM4EKMT2ALMNA
SCHEMBL3405131 0.71 TLR8 (0.43) KDM4ETLR8KMT2ACNR2LMNA
SCHEMBL3398731 0.70 LMNA (0.38) KDM4EKMT2AALDH1A1LMNAHPGD
SCHEMBL3403801 0.70 KDM4E (0.39) KDM4ETLR8HTR2CHTR2ADHFR
SCHEMBL3405179 0.69 LMNA (0.38) KDM4EKMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues LIGAND PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
US-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues LIGAND PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
US-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues LIGAND PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO disclosed
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO 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-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues HRH3, HRH4, HRH2 KDM4E 3449/4885TLR8 462/4885HTR2C 416/4885

“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.