SCHEMBL13401048

SCHEMBL13401048

Cc1nnc(S)n1-c1cccc(F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.43
KEAP1 Q14145 1/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
ACHE P22303 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
AVPR1A P37288 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
VCP P55072 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 2/20 0.36
RXRA P19793 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 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
SCHEMBL14112936 0.83 TDP1 (0.49) NOTUMMGLLCYP1A2AVPR1AALDH1A1
SCHEMBL19604863 0.80 FAAH (0.39) KEAP1FAAHMGLLCYP1A2CYP2D6
SCHEMBL1562739 0.78 AVPR1A (0.56) AVPR1AALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL17153859 0.77 NOTUM (0.39) NOTUMKEAP1FAAHMGLLCYP1A2
SCHEMBL932177 0.74 ESR1 (0.48) NOTUMALDH1A1LMNANPC1MAPT
SCHEMBL11996354 0.74 ALDH1A1 (0.51) NOTUMCYP2C19ALDH1A1LMNANPC1
SCHEMBL14132456 0.73 RXFP1 (0.55) NOTUMCYP1A2CYP2C19AVPR1AALDH1A1
SCHEMBL14583724 0.73 TDP1 (0.49) NOTUMMGLLACHECYP1A2CYP2D6
SCHEMBL8740860 0.73 LMNA (0.39) CYP2D6CYP2C19AVPR1ALMNA
SCHEMBL16720842 0.72 ALDH1A1 (0.59) NOTUMKEAP1FAAHMGLLACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002327-A1 SMALL-MOLECULE REGULATOR OF TLR8 TSINGHUA UNIVERSITY (CN) 2023-01-05 US disclosed
CN-112174903-B Small molecule modulators of TLR8 清华大学 2022-07-12 CN disclosed
EP-3998255-A1 SMALL-MOLECULE REGULATOR OF TLR8 Tsinghua University (CN) 2022-05-18 EP disclosed
WO-2021000755-A1 SMALL-MOLECULE REGULATOR OF TLR8 清华大学 2021-01-07 WO disclosed
CN-112174903-A Small molecule modulators of TLR8 清华大学 2021-01-05 CN disclosed
EP-1975708-B1 Lithographic printing plate precursor FUJIFILM CORP (JP) 2015-04-22 EP disclosed
US-7695888-B2 Photosensitive lithographic printing plate FUJIFILM CORPORATION (JP) 2010-04-13 US disclosed
US-7695888-B2 Photosensitive lithographic printing plate FUJIFILM CORPORATION (JP) 2010-04-13 US disclosed
EP-1975708-A2 Lithographic printing plate precursor FUJIFILM Corporation (JP) 2008-10-01 EP 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-20230002327-A1 SMALL-MOLECULE REGULATOR OF TLR8 TLR8, TLR6, TLR1 NOTUM 4024/4885KEAP1 2095/4885FAAH 3617/4885

“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.