SCHEMBL21389575

SCHEMBL21389575

CCCCN1C(N)=C(N)C(=O)NC1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.41
▸ ABL1 P00519 2/20 0.41
▸ RIN1 Q13671 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ TP53 P04637 1/20 0.40
▸ GBA1 P04062 1/20 0.38
▸ MMP1 P03956 1/20 0.34
▸ MMP3 P08254 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ TNF P01375 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KDM4E B2RXH2 3/20 0.31
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL25073969 0.72 NPC1 (0.40) GAAABL1RIN1TDP1TP53
SCHEMBL23085114 0.67 KDM4E (0.33) GAAGBA1POLBKDM4EALDH1A1
SCHEMBL11371116 0.65 GBA1 (0.58) GAAABL1RIN1TDP1TP53
SCHEMBL21389532 0.65 ABL1 (0.33) GAAABL1RIN1TDP1TP53
SCHEMBL11024134 0.63 GAA (0.46) GAAABL1RIN1TDP1TP53
SCHEMBL6233301 0.63 GAA (0.46) GAAABL1RIN1TDP1TP53
SCHEMBL24164410 0.62 MEN1 (0.50) GAAABL1RIN1TDP1TP53
SCHEMBL27114451 0.62 GAA (0.44) GAAABL1RIN1TDP1TP53
SCHEMBL23730987 0.62 SMN1; SMN2 (0.38) GAAABL1RIN1TDP1TP53
SCHEMBL23730972 0.61 SMN1; SMN2 (0.41) GAAABL1RIN1TDP1CYP19A1

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-11225481-B2 Xanthine derivative inhibitors of BET proteins CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-01-18 — — US disclosed
US-20190292186-A1 XANTHINE DERIVATIVE INHIBITORS OF BET PROTEINS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-09-26 — — 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-20190292186-A1 XANTHINE DERIVATIVE INHIBITORS OF BET PROTEINS BET1, BRD4, BRD3 GAA 2465/4885ABL1 2195/4885RIN1 3084/4885
US-11225481-B2 Xanthine derivative inhibitors of BET proteins BET1, BRD4, BRD3 GAA 2465/4885ABL1 2195/4885RIN1 3084/4885

“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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