SCHEMBL6501860

SCHEMBL6501860

Cc1c(CN(C)C(=O)OC(C)(C)C)cncc1-c1ccc2c(c1)c(C#N)nn2C1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.39
SLC6A4 P31645 7/20 0.39
SOS1 Q07889 1/20 0.34
HTR2A P28223 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
RET P07949 1/20 0.32
GPR119 Q8TDV5 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31

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
SCHEMBL6509247 0.92 HTR2C (0.34) HTR2CSLC6A4SOS1RXRARXRB
SCHEMBL6507707 0.88 HTR2C (0.38) HTR2CSLC6A4HTR2ARXRARXRB
SCHEMBL6510117 0.83 CYP4F2 (0.34) RXRARXRBRXRGRET
SCHEMBL6500737 0.81 CYP4F2 (0.33) RXRARXRBRXRGRET
SCHEMBL5848987 0.80 HTR2C (0.33) HTR2CSLC6A4RXRARXRBRXRG
SCHEMBL6511492 0.80 HTR2C (0.33) HTR2CSLC6A4RXRARXRBRXRG
SCHEMBL6503097 0.80 PIK3CD (0.36) RXRARXRBRXRGRETGPR119
SCHEMBL6508199 0.78 HTR2C (0.32) HTR2CSLC6A4RXRARXRBRXRG
SCHEMBL6504071 0.78 HTR2C (0.32) HTR2CSLC6A4RXRARXRBRXRG
SCHEMBL6502580 0.76 KRAS (0.33) HTR2CSLC6A4RXRARXRBRXRG

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-20050090529-A1 3,5 Disubstituted indazole compounds with nitrogen-bearing 5-membered heterocycles, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation PFIZER INC 2005-04-28 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-20050090529-A1 3,5 Disubstituted indazole compounds with nitrogen-bearing 5-membered heterocycles, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, CDK4, CDK9 HTR2C 3032/4885SLC6A4 4689/4885SOS1 976/4885

“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.