SCHEMBL30596236

SCHEMBL30596236

C[C@H](Nc1cncc(-c2cccc(N)n2)c1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 4/20 0.48
▸ ASIC3 Q9UHC3 1/20 0.45
▸ LDHB P07195 8/20 0.44
▸ LDHA P00338 8/20 0.44
▸ ADRA1D P25100 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ ADRA1B P35368 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ NUDT1 P36639 1/20 0.41
▸ CAMK2D Q13557 1/20 0.39
▸ IDH1 O75874 1/20 0.39
▸ CCNT1 O60563 1/20 0.38
▸ CDK9 P50750 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
SCHEMBL24137504 1.00 HTR7 (0.48) HTR7ASIC3LDHBLDHAADRA1D
SCHEMBL24137799 0.82 HTR7 (0.48) HTR7LDHBLDHAADRA1DHTR2C
SCHEMBL24137550 0.80 HTR7 (0.50) HTR7LDHBLDHAADRA1DHTR2C
SCHEMBL24137472 0.78 HTR7 (0.48) HTR7LDHBLDHAADRA1DHTR2C
SCHEMBL24137735 0.77 LDHA (0.47) HTR7LDHBLDHAADRA1DHTR2C
SCHEMBL25937910 0.75 HTR7 (0.51) HTR7LDHBLDHAADRA1DHTR2C
SCHEMBL24137805 0.75 HTR7 (0.60) HTR7LDHBLDHAADRA1DHTR2C
SCHEMBL19237093 0.72 TTK (0.52) HTR7LDHBLDHAADRA1DHTR2C
SCHEMBL22191525 0.71 HTR7 (0.58) HTR7LDHBLDHAADRA1DHTR2C
SCHEMBL22191527 0.71 HTR7 (0.58) HTR7LDHBLDHAADRA1DHTR2C

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-20230234935-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2023-07-27 — — 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-20230234935-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE PACSIN2, MAP3K20, PHKG1 HTR7 2493/4885ASIC3 2131/4885LDHB 2201/4885

“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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