SCHEMBL1666699

SCHEMBL1666699

COc1ccccc1Cn1cc(-c2cccnc2)nc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.56
CYP1A2 P05177 5/20 0.51
CYP3A4 P08684 5/20 0.51
CYP2C19 P33261 5/20 0.51
CYP2D6 P10635 4/20 0.51
HSD17B10 Q99714 4/20 0.51
CLK4 Q9HAZ1 4/20 0.51
TSHR P16473 4/20 0.51
F12 P00748 2/20 0.49
F2 P00734 1/20 0.49
POLB P06746 1/20 0.49
USP2 O75604 3/20 0.48
ALOX15 P16050 3/20 0.48
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
TP53 P04637 2/20 0.46
LMNA P02545 2/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 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
Hydrochloric Acid SCHEMBL1666047 0.87 TLR8 (0.54) TLR8ALDH1A1KMT2AMEN1MAPK1
SCHEMBL5053775 0.83 TLR8 (0.50) TLR8ALDH1A1KMT2AMEN1MAPK1
SCHEMBL1666376 0.82 TLR8 (0.48) TLR8CYP1A2CYP3A4CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL1666361 0.82 TLR8 (0.52) TLR8ALDH1A1KMT2AMEN1MAPK1
SCHEMBL1668543 0.82 TLR8 (0.51) TLR8TSHRKMT2AMEN1TP53
SCHEMBL1666165 0.82 TLR8 (0.53) TLR8ALDH1A1KMT2AMEN1TP53
SCHEMBL1666044 0.81 TLR8 (0.61) TLR8CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL1666616 0.81 TLR8 (0.47) TLR8ALDH1A1KMT2AMEN1MAPK1
SCHEMBL5051627 0.80 ATR (0.47) TLR8HSD17B10POLBUSP2ALOX15
Hydrochloric Acid SCHEMBL1665754 0.79 TLR8 (0.48) TLR8KMT2AMEN1

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-8921406-B2 5-ring heteroaromatic compounds and their use as binding partners for 5-HT5 receptors AbbVie Deutschland GmbH & Co. KG (DE) 2014-12-30 US claimed
US-20150183770-A1 5-RING HETEROAROMATIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND (DE) 2015-07-02 US disclosed
US-8921406-B2 5-ring heteroaromatic compounds and their use as binding partners for 5-HT5 receptors AbbVie Deutschland GmbH & Co. KG (DE) 2014-12-30 US disclosed
EP-1917251-B1 5-RING HETEROAROMATIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO KG (DE) 2013-04-03 EP disclosed
US-20110207788-A1 5-Ring Heteroaromatic compounds and their use as binding partners for 5-ht5 receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2011-08-25 US disclosed
EP-2308852-A1 5-ring heteroaromatic compounds and their use as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-04-13 EP disclosed
EP-1917251-A2 5-RING HETEROAROMATIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 EP disclosed
WO-2007022947-A2 5-RING HETEROAROMATIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 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 (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-20150183770-A1 5-RING HETEROAROMATIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR3A, HTR6 TLR8 3449/4885CYP1A2 613/4885CYP3A4 717/4885
US-20110207788-A1 5-Ring Heteroaromatic compounds and their use as binding partners for 5-ht5 receptors HTR5A, HTR3A, HTR6 TLR8 3449/4885CYP1A2 613/4885CYP3A4 717/4885

“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.