SCHEMBL19010458

SCHEMBL19010458

Cc1ccc(N2CC(C(F)(F)F)C[C@@H](N)C2)c2cccnc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.73
PIM2 Q9P1W9 12/20 0.46
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
USP2 O75604 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HTT P42858 2/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
SLC6A2 P23975 1/20 0.36
PIM1 P11309 4/20 0.36
PIM3 Q86V86 4/20 0.36
NCF1 P14598 1/20 0.36
PRKCQ Q04759 1/20 0.35
MAP4K1 Q92918 1/20 0.35

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
SCHEMBL19000115 1.00 TLR8 (0.73) TLR8PIM2MEN1KMT2AUSP2
SCHEMBL21645214 1.00 TLR8 (0.73) TLR8PIM2MEN1KMT2AUSP2
Hydrochloric Acid SCHEMBL18980461 0.99 TLR8 (0.72) TLR8PIM2MEN1KMT2AUSP2
SCHEMBL21645323 0.90 TLR8 (0.72) TLR8PIM2PIM1PIM3NCF1
Hydrochloric Acid SCHEMBL21645218 0.89 TLR8 (0.70) TLR8PIM2PIM1PIM3NCF1
SCHEMBL23264097 0.88 TLR8 (0.57) TLR8PIM2MEN1KMT2AUSP2
SCHEMBL23894241 0.87 TLR8 (0.68) TLR8PIM2PIM1PIM3PRKCQ
SCHEMBL21645221 0.86 TLR8 (0.64) TLR8PIM2PIM1PIM3PRKCQ
SCHEMBL21645189 0.84 TLR8 (0.62) TLR8PIM2PIM1PIM3PRKCQ
SCHEMBL21645187 0.84 TLR8 (0.62) TLR8PIM2PIM1PIM3PRKCQ

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-20210115013-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-04-22 US disclosed
US-10947213-B1 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2021-03-16 US disclosed
US-20200316051-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-10-08 US disclosed
US-10696649-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2020-06-30 US disclosed
US-20200095222-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-03-26 US disclosed
US-10544122-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2020-01-28 US disclosed
US-20190330183-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-10-31 US disclosed
US-10399957-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2019-09-03 US disclosed
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-06-22 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 (9 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-20190330183-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 TLR8 2/4885PIM2 3308/4885MEN1 4517/4885
US-20200316051-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 TLR8 2/4885PIM2 4433/4885MEN1 1719/4885
US-20210115013-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 TLR8 2/4885PIM2 3353/4885MEN1 4632/4885
US-10947213-B1 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 TLR8 2/4885PIM2 3308/4885MEN1 4517/4885
US-10544122-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 TLR8 2/4885PIM2 3308/4885MEN1 4517/4885
US-20200095222-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 TLR8 2/4885PIM2 3308/4885MEN1 4517/4885
US-10399957-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 TLR8 2/4885PIM2 2928/4885MEN1 4690/4885
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 TLR8 2/4885PIM2 2928/4885MEN1 4690/4885
US-10696649-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 TLR8 2/4885PIM2 3308/4885MEN1 4517/4885

“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.