SCHEMBL25523664

SCHEMBL25523664

C=Cc1ccc(C(C)C)nc1NC

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRIM58 Q8NG06 1/20 0.34
ACVR2A P27037 1/20 0.31
TGFBR1 P36897 1/20 0.31
LMNA P02545 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
GAA P10253 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL19477494 0.74 ALDH1A1 (0.38) TRIM58ACVR2ATGFBR1LMNAKDM4E
SCHEMBL20663170 0.74 TRIM58 (0.36) TRIM58ACVR2ATGFBR1LMNAKDM4E
SCHEMBL28850944 0.72 LRRK2 (0.30)
SCHEMBL24879009 0.71 ACVR2A (0.33) ACVR2ATGFBR1
SCHEMBL26048569 0.71
SCHEMBL25711816 0.70 NCF1 (0.43) TRIM58LMNAKDM4EMEN1POLB
SCHEMBL13677496 0.69 NOS3 (0.34)
SCHEMBL16206568 0.68 ALDH1A1 (0.38) KDM4EMEN1CYP1A2POLBCYP3A4
SCHEMBL24879350 0.67
SCHEMBL21284326 0.66 KDM4E (0.36) TRIM58ACVR2ATGFBR1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167133-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AND USES THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2023-06-01 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 (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-20230167133-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AND USES THEREOF DYRK1A, DYRK1B, DYRK2 TRIM58 3045/4885ACVR2A 3208/4885TGFBR1 3764/4885

“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.