SCHEMBL22828685

SCHEMBL22828685

CCCCc1ccc(NC(=O)Nc2ccn(-c3ccccc3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ TSHR P16473 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ ELOVL1 Q9BW60 7/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ CASP3 P42574 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ SENP8 Q96LD8 1/20 0.53
▸ SENP7 Q9BQF6 1/20 0.53
▸ SENP6 Q9GZR1 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.51
▸ CACNA1G O43497 1/20 0.51
▸ CACNA1H O95180 1/20 0.51
▸ CACNA1I Q9P0X4 1/20 0.51
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 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
SCHEMBL23719191 0.86 MAPT (0.54) MAPTTSHRHTTHSD17B10L3MBTL1
SCHEMBL22828578 0.85 LMNA (0.66) MAPTTSHRHTTHSD17B10L3MBTL1
SCHEMBL23719194 0.83 MAPT (0.68) MAPTTSHRHTTHSD17B10L3MBTL1
SCHEMBL22828678 0.81 KMT2A (0.58) MAPTKMT2AMEN1NPC1CASP3
SCHEMBL4107205 0.80 TRPV1 (0.72) MAPTKMT2AMEN1NPC1CASP3
SCHEMBL22828679 0.80 KMT2A (0.54) MAPTKMT2AMEN1NPC1CASP3
SCHEMBL15094124 0.77 CA12 (0.74) MAPTKMT2AMEN1NPC1CASP3
SCHEMBL22246763 0.74 LMNA (0.63) MAPTTSHRHTTHSD17B10L3MBTL1
SCHEMBL4117293 0.73 CA12 (0.68) MAPTKMT2AMEN1NPC1CASP3
SCHEMBL15093703 0.72 CA12 (0.73) KMT2AMEN1NPC1CASP3RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230106899-A1 METHODS OF TREATING CANCER NOVARTIS PHARMA AG (CH) 2023-04-06 — — US disclosed
US-20210236466-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2021-08-05 — — US disclosed
WO-2020257621-A1 METHODS OF TREATING CANCER IFM DUE, INC. (US) 2020-12-24 — — 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-20210236466-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 MAPT 3027/4885KMT2A 3772/4885TSHR 4487/4885
US-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 MAPT 3503/4885KMT2A 4188/4885TSHR 2046/4885

“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.

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