SCHEMBL25118155

SCHEMBL25118155

COC(=O)c1cnn2c(N(Cc3ccccc3)Cc3ccccc3)cc(Cl)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 12/20 0.47
▸ ALDH1A1 P00352 12/20 0.47
▸ HPGD P15428 8/20 0.46
▸ HSD17B10 Q99714 6/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CCNA2 P20248 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CASP1 P29466 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ MEN1 O00255 1/20 0.40

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
SCHEMBL20689640 0.91 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL20678782 0.90 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL20678910 0.86 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL30184310 0.81 MAPK13 (0.44) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL20688889 0.81 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL20696803 0.80 SMN1; SMN2 (0.43) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL25118135 0.79 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL20689113 0.77 TYK2 (0.44) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL25505138 0.76 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL25117799 0.75 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219978-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD (CN) 2023-07-13 — — US disclosed
US-20230219978-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD (CN) 2023-07-13 — — US disclosed
WO-2023078267-A1 AMINO-CONTAINING MACROCYCLIC COMPOUND AS PROTEIN KINASE MODULATOR 赛诺哈勃药业(成都)有限公司 2023-05-11 — — WO disclosed
WO-2023078267-A1 AMINO-CONTAINING MACROCYCLIC COMPOUND AS PROTEIN KINASE MODULATOR 赛诺哈勃药业(成都)有限公司 2023-05-11 — — WO disclosed
EP-4163283-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF Scinnohub Pharmaceutical Co., Ltd (CN) 2023-04-12 — — EP 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 (1 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-20230219978-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF BTK, SRC, YES1 KDM4E 1626/4885ALDH1A1 4689/4885HPGD 4855/4885

“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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