SCHEMBL25523673

SCHEMBL25523673

CC(C)c1cnc2cc[nH]c2n1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 14/20 0.44
RIPK1 Q13546 1/20 0.36
APP P05067 1/20 0.35
AXL P30530 2/20 0.33
CDK8 P49336 1/20 0.33
NUDT1 P36639 1/20 0.33
PRKCI P41743 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
SCHEMBL20874821 0.86 MAPK1 (0.41) MAPK1RIPK1CDK8
SCHEMBL2611061 0.85 MAPK1 (0.55) MAPK1RIPK1CDK8
SCHEMBL18237951 0.76 ADORA2A (0.39) MAPK1AXLCDK8NUDT1
SCHEMBL18237617 0.76 ALDH1A1 (0.33) MAPK1
Trifluoroacetic Acid SCHEMBL29699564 0.75 CDK8 (0.34) MAPK1CDK8
SCHEMBL29699518 0.75 MAPK1 (0.48) MAPK1RIPK1APPAXLCDK8
SCHEMBL10141177 0.75 MAPK1 (0.48) MAPK1RIPK1APPAXLNUDT1
SCHEMBL8047934 0.72 KDM4E (0.36) PRKCI
SCHEMBL2967092 0.71 MAPK1 (0.48) MAPK1RIPK1APPAXLCDK8
SCHEMBL4569788 0.71 AXL (0.41) MAPK1APPAXLCDK8NUDT1

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-20230295167-A1 POTENT AND SELECTIVE INHIBITORS OF HER2 DANA-FARBER CANCER INSTITUTE, INC. 2023-09-21 US disclosed
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 (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-20230295167-A1 POTENT AND SELECTIVE INHIBITORS OF HER2 ERBB2, EGFR, ERBB3 MAPK1 593/4885RIPK1 2842/4885APP 4400/4885
US-20230167133-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AND USES THEREOF DYRK1A, DYRK1B, DYRK2 MAPK1 1046/4885RIPK1 465/4885APP 578/4885

“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.