SCHEMBL4515282

SCHEMBL4515282

CCCC[Sn](CCCC)(CCCC)c1ccc2c(NC)nc(N)nc2c1.CNc1nc(N)nc2cc(-c3c(C)cccc3C(=O)N3CCCCC3)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.38
TLR7 Q9NYK1 2/20 0.38
HRH4 Q9H3N8 1/20 0.37
CYP2C9 P11712 1/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
CYP46A1 Q9Y6A2 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN9A Q15858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NLRP3 Q96P20 1/20 0.32
AGTR1 P30556 1/20 0.32
AGTR2 P50052 1/20 0.32
MOK Q9UQ07 1/20 0.32

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
SCHEMBL4512865 0.89 HRH4 (0.45) HRH4MEN1POLBKMT2AADORA2A
SCHEMBL4523710 0.76 PTPN1 (0.43) TLR8TLR7CYP2C9KCNH2NLRP3
SCHEMBL4526032 0.76 KCNH2 (0.44) TLR8TLR7ADORA1KCNH2NLRP3
SCHEMBL4529983 0.74 HRH4 (0.44) HRH4CYP2C9KCNH2NLRP3
SCHEMBL4525916 0.74 PTPN1 (0.49) HRH4CYP2C9NLRP3
SCHEMBL4528686 0.74 ALOX5AP (0.42) HRH4CYP2C9KCNH2NLRP3
SCHEMBL4526220 0.73 ALOX5AP (0.44) HRH4CYP2C9NLRP3
SCHEMBL4525920 0.73 HRH4 (0.40) HRH4CYP2C9KCNH2NLRP3
Trifluoroacetic Acid SCHEMBL4528727 0.73 KCNH2 (0.38) TLR8TLR7HRH4CYP2C9KCNH2
SCHEMBL4524754 0.73 CYP3A4 (0.41) HRH4CYP2C9KCNH2NLRP3

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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US disclosed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors PTPN5, PTPN1, PTPN7 TLR8 3037/4885TLR7 2015/4885HRH4 3834/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 TLR8 3037/4885TLR7 2015/4885HRH4 3834/4885

“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.