SCHEMBL22828679

SCHEMBL22828679

CCCCc1ccc(NC(=O)Nc2cn(-c3ccccc3)cn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.54
▸ 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
▸ CA12 O43570 2/20 0.49
▸ CA1 P00915 2/20 0.49
▸ CA2 P00918 2/20 0.49
▸ CA9 Q16790 2/20 0.49
▸ TRPV1 Q8NER1 2/20 0.49
▸ GAA P10253 1/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ DRD2 P14416 1/20 0.47
▸ NR3C1 P04150 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CPB1 P15086 1/20 0.46

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
SCHEMBL23719173 0.88 CPB1 (0.43) KMT2AMEN1NPC1CASP3RAB9A
SCHEMBL23719175 0.84 NPC1 (0.54) KMT2AMEN1NPC1CASP3RAB9A
SCHEMBL4107205 0.80 TRPV1 (0.72) KMT2AMEN1NPC1CASP3RAB9A
SCHEMBL22828685 0.80 MAPT (0.54) KMT2AMEN1NPC1CASP3RAB9A
SCHEMBL22828678 0.79 KMT2A (0.58) KMT2AMEN1NPC1CASP3RAB9A
SCHEMBL15094124 0.77 CA12 (0.74) KMT2AMEN1NPC1CASP3RAB9A
SCHEMBL27567730 0.73 HSD17B10 (0.53) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL4117293 0.73 CA12 (0.68) KMT2AMEN1NPC1CASP3RAB9A
SCHEMBL1519009 0.73 MEN1 (0.56) KMT2AMEN1NPC1CASP3RAB9A
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 KMT2A 3772/4885MEN1 2199/4885NPC1 859/4885
US-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 KMT2A 4188/4885MEN1 1142/4885NPC1 249/4885

“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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