SCHEMBL22734583

SCHEMBL22734583

CCn1cnc2c1C(=O)NC(O)N2Cc1ccc(CNC(=O)[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CDK9 P50750 1/20 0.37
▸ BTK Q06187 2/20 0.36
▸ ROCK2 O75116 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PLG P00747 1/20 0.34
▸ NAMPT P43490 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ JAK1 P23458 4/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ ACACB O00763 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ KAT8 Q9H7Z6 4/20 0.32

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
SCHEMBL22735677 0.86 KMT2A (0.36) KMT2AALDH1A1LMNANAMPTRXFP1
SCHEMBL22735698 0.79 KMT2A (0.38) KMT2AL3MBTL1ALDH1A1JAK1RXFP1
SCHEMBL22735702 0.78 CTSK (0.38) ALDH1A1LMNA
SCHEMBL22735938 0.78 CTSK (0.38) ALDH1A1LMNA
SCHEMBL22734578 0.78 BRD4 (0.49) KMT2AL3MBTL1
SCHEMBL22734504 0.76 CTSS (0.35) KMT2AALDH1A1LMNA
SCHEMBL22734477 0.76 TP53 (0.36) KMT2AALDH1A1LMNA
SCHEMBL29708134 0.71 ALDH1A1 (0.54) KMT2AL3MBTL1BTKALDH1A1LMNA
SCHEMBL29708176 0.71 ALDH1A1 (0.54) KMT2AL3MBTL1BTKALDH1A1LMNA
SCHEMBL22734659 0.71 KMT2A (0.37) KMT2AL3MBTL1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11180510-B2 Xanthine derivatives and uses thereof as inhibitors of bromodomains of BET proteins CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-11-23 — — US disclosed
US-20200377522-A1 XANTHINE DERIVATIVES AND USES THEREOF AS INHIBITORS OF BROMODOMAINS OF BET PROTEINS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-12-03 — — US 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-20200377522-A1 XANTHINE DERIVATIVES AND USES THEREOF AS INHIBITORS OF BROMODOMAINS OF BET PROTEINS BET1, BRD4, BRD3 KMT2A 941/4885L3MBTL1 1478/4885CDK9 633/4885
US-11180510-B2 Xanthine derivatives and uses thereof as inhibitors of bromodomains of BET proteins BET1, BRD4, BRD3 KMT2A 1009/4885L3MBTL1 1604/4885CDK9 646/4885

“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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