SCHEMBL22828232

SCHEMBL22828232

CCOCc1ccc(NC(=N)Nc2c[nH]c(-c3ccccc3)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ S1PR1 P21453 6/20 0.35
▸ NAMPT P43490 1/20 0.33
▸ ADORA2B P29275 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ MYLK4 Q86YV6 1/20 0.33
▸ STING1 Q86WV6 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
SCHEMBL22828386 0.88 RAB9A (0.43) ALDH1A1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL22828229 0.88 ALDH1A1 (0.47) ALDH1A1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL22828236 0.80 RAB9A (0.36) ALDH1A1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL23719153 0.71 KMT2A (0.52) RAB9AMAPTMEN1KMT2AGAA
SCHEMBL31037014 0.69 PDE10A (0.54) ALDH1A1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL22828396 0.69 STING1 (0.41) ALDH1A1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL22828405 0.68 RAB9A (0.46) RAB9ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL23719154 0.67 TP53 (0.57) RAB9ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL2614813 0.67 IDO1 (0.57) GAA
SCHEMBL22828389 0.66 MEN1 (0.43) ALDH1A1RAB9ASMN1; SMN2MAPTMEN1

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 ALDH1A1 4654/4885RAB9A 876/4885SMN1; SMN2 2298/4885
US-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 ALDH1A1 4735/4885RAB9A 1457/4885SMN1; SMN2 2644/4885

“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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