SCHEMBL22735677

SCHEMBL22735677

CCn1cnc2c1C(=O)NC(O)N2Cc1ccc(CNC(=O)C2CCCC(O)C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ USP2 O75604 2/20 0.35
▸ RXFP1 Q9HBX9 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NAMPT P43490 3/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ TP53 P04637 3/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GFER P55789 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
SCHEMBL22734583 0.86 KMT2A (0.38) KMT2AALDH1A1RXFP1NAMPTLMNA
SCHEMBL22735698 0.86 KMT2A (0.38) KMT2AALDH1A1RXFP1SMN1; SMN2P2RX7
SCHEMBL22734477 0.80 TP53 (0.36) KMT2AALDH1A1HPGDKDM4EP2RX7
SCHEMBL22734659 0.76 KMT2A (0.37) KMT2AALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL22735678 0.75 BRD4 (0.56) —
SCHEMBL22735938 0.71 CTSK (0.38) ALDH1A1LMNA
SCHEMBL22735702 0.71 CTSK (0.38) ALDH1A1LMNA
SCHEMBL22734504 0.70 CTSS (0.35) KMT2AALDH1A1TP53LMNA
SCHEMBL22105567 0.68 TSHR (0.45) ALDH1A1RXFP1SMN1; SMN2
SCHEMBL22235969 0.61 HPGD (0.40) KMT2AALDH1A1USP2HPGDKDM4E

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 941/4885ALDH1A1 3166/4885USP2 1880/4885
US-11180510-B2 Xanthine derivatives and uses thereof as inhibitors of bromodomains of BET proteins BET1, BRD4, BRD3 KMT2A 1009/4885ALDH1A1 3084/4885USP2 1927/4885

“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.

Send feedback