SCHEMBL25937910

SCHEMBL25937910

Cc1cccc(-c2cncc(N[C@@H](C)c3ccccc3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 4/20 0.51
▸ PLK1 P53350 2/20 0.48
▸ PLK2 Q9NYY3 1/20 0.48
▸ CAMK2D Q13557 1/20 0.47
▸ FDPS P14324 1/20 0.46
▸ 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 0.44
▸ ATP1A1 P05023 1/20 0.44
▸ ATP1B1 P05026 1/20 0.44
▸ ATP1A3 P13637 1/20 0.44
▸ ATP1B2 P14415 1/20 0.44
▸ ATP1A2 P50993 1/20 0.44
▸ ATP1B3 P54709 1/20 0.44
▸ FXYD2 P54710 1/20 0.44
▸ ATP1A4 Q13733 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ LDHA P00338 2/20 0.44

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
SCHEMBL24137550 0.85 HTR7 (0.50) HTR7FDPSADRA1DHTR2CADRA1A
SCHEMBL24137805 0.83 HTR7 (0.60) HTR7FDPSADRA1DHTR2CADRA1A
SCHEMBL19237093 0.80 TTK (0.52) HTR7FDPSADRA1DHTR2CADRA1A
SCHEMBL24137863 0.78 CDK7 (0.46) HTR7FDPSADRA1DHTR2CADRA1A
SCHEMBL24137867 0.77 HTR7 (0.47) HTR7FDPSADRA1DHTR2CADRA1A
SCHEMBL11520815 0.76 NPSR1 (0.55) HTR7PLK1PLK2CAMK2DKDM4E
SCHEMBL30596236 0.75 HTR7 (0.48) HTR7CAMK2DADRA1DHTR2CADRA1A
SCHEMBL19237111 0.75 MAPT (0.50) HTR7PLK1ADRA1DHTR2CADRA1A
SCHEMBL24137504 0.75 HTR7 (0.48) HTR7CAMK2DADRA1DHTR2CADRA1A
SCHEMBL22191728 0.75 CCNC (0.46) HTR7CAMK2DFDPSADRA1DHTR2C

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 2493/4885PLK1 64/4885PLK2 131/4885

“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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