SCHEMBL25233643

SCHEMBL25233643

CCc1cc(Br)cnc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
HSD17B10 Q99714 1/20 0.35
HTT P42858 2/20 0.34
KMT2A Q03164 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
PLAU P00749 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GBA1 P04062 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
NR4A1 P22736 1/20 0.33
RAB9A P51151 1/20 0.33
ESR2 Q92731 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALPL P05186 1/20 0.33
CCR5 P51681 1/20 0.33

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
SCHEMBL31430877 0.81 KMT2A (0.37) ALDH1A1NPSR1HTTKMT2APLAU
SCHEMBL5046239 0.81 KMT2A (0.35) HTTKMT2APLAUMAPTALPL
SCHEMBL856508 0.81 KMT2A (0.37) ALDH1A1NPSR1HTTKMT2APLAU
SCHEMBL856143 0.80 CA1 (0.40) ALDH1A1NPSR1HSD17B10HTTKMT2A
SCHEMBL28046023 0.80 CYP3A4 (0.36) ALDH1A1NPSR1HSD17B10KMT2APLAU
SCHEMBL1543624 0.79 PDXK (0.46) ALDH1A1HTTKMT2APLAUMAPT
SCHEMBL15052847 0.79 HTT (0.34) HTTKMT2APLAUMAPTALPL
SCHEMBL15052641 0.79 CCR5 (0.42) HTTKMT2APLAUGBA1CCR5
SCHEMBL4723196 0.79 SLC6A4 (0.40) HTTKMT2AMAPT
SCHEMBL23534347 0.79 LMNA (0.36) CCR5

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-12018011-B2 Macrocyclic compounds and compositions, and methods of preparing and using the same KURA ONCOLOGY, INC. (US) 2024-06-25 US disclosed
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
US-20230322711-A1 MACROCYCLIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF PREPARING AND USING THE SAME WUXI APPTEC (HONG KONG) LIMITED (CN) 2023-10-12 US disclosed
US-20230279001-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-09-07 US disclosed
US-20230279001-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-09-07 US disclosed
US-20230279001-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-09-07 US disclosed
EP-4192588-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2023-06-14 EP disclosed
CN-115835911-A Imidazo [1,2-a ] pyridine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2023-03-21 CN 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 (4 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-12018011-B2 Macrocyclic compounds and compositions, and methods of preparing and using the same FNTA, FDPS, GGPS1 ALDH1A1 3460/4885NPSR1 4633/4885HSD17B10 603/4885
US-20230322711-A1 MACROCYCLIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF PREPARING AND USING THE SAME FNTA, FDPS, GGPS1 ALDH1A1 3460/4885NPSR1 4633/4885HSD17B10 603/4885
US-20230279001-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, CNKSR1, UACA ALDH1A1 309/4885NPSR1 1315/4885HSD17B10 3769/4885
US-11827662-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS ALDH1A1 2149/4885NPSR1 3772/4885HSD17B10 4007/4885

“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.