SCHEMBL1019128

SCHEMBL1019128

CCc1cc2ccccc2nc1N

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 16/20 0.70
IKBKB O14920 1/20 0.51
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL317874 0.82 TLR8 (0.62) TLR8IKBKBMEN1NPC1RAB9A
SCHEMBL16836409 0.82 TLR8 (1.00) TLR8
SCHEMBL16486514 0.81 TLR8 (1.00) TLR8
SCHEMBL317873 0.81 TLR8 (0.60) TLR8IKBKBMEN1NPC1RAB9A
SCHEMBL16836327 0.80 TLR8 (0.97) TLR8
SCHEMBL12014829 0.78 PSMB5 (0.62) TLR8MEN1KMT2AKDM4EALDH1A1
SCHEMBL13029622 0.78 ALDH1A1 (0.55) TLR8MEN1KMT2AKDM4EALDH1A1
SCHEMBL6664826 0.78 TLR8 (0.66) TLR8IKBKBMEN1NPC1RAB9A
SCHEMBL3207917 0.78 TLR8 (0.57) TLR8IKBKBNPC1RAB9AKMT2A
SCHEMBL19342480 0.77 TLR8 (0.47) TLR8MEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003013523-A1 SH3 PROTEIN DOMAINS AND THEIR LIGANDS ADELAIDE RESEARCH & INNOVATION PTY LTD (AU) 2003-02-20 WO claimed
US-20230322803-A1 SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2023-10-12 US disclosed
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
EP-2094677-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES REMYND NV (BE) 2011-01-12 EP disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 US disclosed
EP-2094677-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV Remynd (BE) 2009-09-02 EP disclosed
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 WO disclosed
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed
WO-2003013523-A1 SH3 PROTEIN DOMAINS AND THEIR LIGANDS ADELAIDE RESEARCH & INNOVATION PTY LTD (AU) 2003-02-20 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-20230322803-A1 SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER DDX21, HRAS, RPL17 TLR8 4627/4885IKBKB 814/4885MEN1 717/4885
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES SNCA, PARK7, PRNP TLR8 3950/4885IKBKB 3200/4885MEN1 4386/4885

“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.