SCHEMBL24908252

SCHEMBL24908252

CSc1ccc2cnn(C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42
CDK8 P49336 2/20 0.39
PDE1C Q14123 1/20 0.39
FGFR1 P11362 1/20 0.38
AR P10275 2/20 0.38
CYP11B2 P19099 1/20 0.38
MPO P05164 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38

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
SCHEMBL20883607 0.89 AR (0.47) CDK8PDE1CFGFR1ARCYP11B2
SCHEMBL16407110 0.81 ALDH1A1 (0.41) NOTUMERCC1ERCC4CDK8PDE1C
Ammonia Solution, Strong SCHEMBL905935 0.80 HTR2A (0.44) FGFR1CYP1A2HTR2AHTR2CHTR2B
SCHEMBL8013345 0.77 HTR2A (0.52) CYP1A2HTR2AHTR2CHTR2BKMO
SCHEMBL425168 0.76 KMO (0.57) NOTUMERCC1ERCC4CDK8PDE1C
SCHEMBL29901474 0.76 KMO (0.57) NOTUMERCC1ERCC4CDK8PDE1C
SCHEMBL21371998 0.75 AR (0.44) NOTUMERCC1ERCC4CDK8PDE1C
SCHEMBL21530579 0.74 NOTUM (0.44) NOTUMERCC1ERCC4CDK8PDE1C
SCHEMBL3285716 0.74 NOTUM (0.44) NOTUMERCC1ERCC4CDK8PDE1C
SCHEMBL2144057 0.74 NOTUM (0.44) NOTUMERCC1ERCC4CDK8PDE1C

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-20230027026-A1 FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF BLUEPRINT MEDICINES CORPORATION 2023-01-26 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 (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-20230027026-A1 FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF DPYD, TYMP, TYMS NOTUM 4519/4885ERCC1 450/4885ERCC4 123/4885

“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.