SCHEMBL22735698

SCHEMBL22735698

CCn1cnc2c1C(=O)NC(O)N2Cc1ccc(CNC(=O)C2CCC(CO)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.38
▸ P2RX7 Q99572 2/20 0.36
▸ RXFP1 Q9HBX9 3/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GFER P55789 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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) KMT2AP2RX7RXFP1ALDH1A1SMN1; SMN2
SCHEMBL22734477 0.84 TP53 (0.36) KMT2AP2RX7ALDH1A1TP53
SCHEMBL22734583 0.79 KMT2A (0.38) KMT2ARXFP1ALDH1A1JAK2JAK1
SCHEMBL22734659 0.77 KMT2A (0.37) KMT2AALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL22735699 0.74 BRD4 (0.59) —
SCHEMBL22735702 0.72 CTSK (0.38) ALDH1A1CYP3A4
SCHEMBL22735938 0.72 CTSK (0.38) ALDH1A1CYP3A4
SCHEMBL22734504 0.70 CTSS (0.35) KMT2AALDH1A1TP53CYP3A4
SCHEMBL22105567 0.68 TSHR (0.45) RXFP1ALDH1A1SMN1; SMN2GAATSHR
SCHEMBL22734715 0.67 BRD4 (0.61) KMT2ASMN1; SMN2TP53L3MBTL1

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 941/4885P2RX7 1955/4885RXFP1 1769/4885
US-11180510-B2 Xanthine derivatives and uses thereof as inhibitors of bromodomains of BET proteins BET1, BRD4, BRD3 KMT2A 1009/4885P2RX7 1791/4885RXFP1 1563/4885

“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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