SCHEMBL24137472

SCHEMBL24137472

C[C@H](Nc1cncc(-c2cnc(N)s2)c1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 4/20 0.48
▸ ADRA1D P25100 1/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ ADRA1B P35368 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ KIT P10721 1/20 0.40
▸ LDHB P07195 4/20 0.40
▸ LDHA P00338 4/20 0.40
▸ NUDT1 P36639 1/20 0.39
▸ CSNK2A1 P68400 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ ATP1A1 P05023 3/20 0.38
▸ ATP1B1 P05026 3/20 0.38
▸ ATP1A3 P13637 3/20 0.38
▸ ATP1B2 P14415 3/20 0.38
▸ ATP1A2 P50993 3/20 0.38
▸ ATP1B3 P54709 3/20 0.38
▸ FXYD2 P54710 3/20 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
SCHEMBL25936856 0.81 ALDH1A1 (0.46) HTR7ADRA1DHTR2CADRA1AADRA1B
SCHEMBL24137504 0.78 HTR7 (0.48) HTR7ADRA1DHTR2CADRA1AADRA1B
SCHEMBL30596236 0.78 HTR7 (0.48) HTR7ADRA1DHTR2CADRA1AADRA1B
SCHEMBL24137799 0.78 HTR7 (0.48) HTR7ADRA1DHTR2CADRA1AADRA1B
SCHEMBL24137550 0.77 HTR7 (0.50) HTR7ADRA1DHTR2CADRA1AADRA1B
SCHEMBL24137475 0.76 KCNH2 (0.46) CSNK2A1EGFR
SCHEMBL24137493 0.73 JAK2 (0.53) HTR7CSNK2A1
SCHEMBL25937910 0.73 HTR7 (0.51) HTR7ADRA1DHTR2CADRA1AADRA1B
SCHEMBL24137805 0.72 HTR7 (0.60) HTR7ADRA1DHTR2CADRA1AADRA1B
SCHEMBL24137474 0.72 CCNE1 (0.43) HTR7ADRA1DHTR2CADRA1AADRA1B

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-20230234935-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2023-07-27 — — US disclosed
WO-2021263129-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2021-12-30 — — WO 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 2493/4885ADRA1D 1291/4885HTR2C 2244/4885

“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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