SCHEMBL21662933

SCHEMBL21662933

Cc1ncc2[nH]ncc2c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 3/20 0.40
▸ METAP2 P50579 2/20 0.36
▸ NOS1 P29475 3/20 0.35
▸ AXL P30530 2/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ DRD1 P21728 2/20 0.35
▸ MET P08581 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ PTK2 Q05397 1/20 0.33
▸ CHEK1 O14757 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ RET P07949 1/20 0.32
▸ PI4KA P42356 1/20 0.32
▸ XDH P47989 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ PI4K2B Q8TCG2 1/20 0.32
▸ PI4K2A Q9BTU6 1/20 0.32

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
SCHEMBL22445915 0.79 IDO1 (0.42) IDO1METAP2NOS1AXLDRD1
SCHEMBL9941919 0.79 NOS1 (0.41) IDO1METAP2NOS1AXLABL1
SCHEMBL19960703 0.79 IDO1 (0.38) IDO1METAP2NOS1AXLABL1
SCHEMBL22328042 0.76 IDO1 (0.36) IDO1METAP2NOS1AXLABL1
SCHEMBL22349059 0.76 IDO1 (0.36) IDO1METAP2NOS1AXLABL1
SCHEMBL25696165 0.76 METAP2 (0.36) IDO1METAP2NOS1AXLABL1
SCHEMBL16646932 0.71 IDO1 (0.50) IDO1METAP2NOS1AXLTDO2
SCHEMBL8404436 0.70 IDO1 (0.46) IDO1METAP2NOS1AXLJAK2
SCHEMBL25899116 0.70 HTT (0.42) IDO1METAP2NOS1AXLDRD1
SCHEMBL19153649 0.70 IDO1 (0.40) IDO1METAP2NOS1AXLDRD1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203018-A1 COVALENT INHIBITORS OF KRAS ARAXES PHARMA LLC (US) 2023-06-29 — — US disclosed
US-20230203018-A1 COVALENT INHIBITORS OF KRAS ARAXES PHARMA LLC (US) 2023-06-29 — — US disclosed
WO-2020028706-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2020-02-06 — — 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-20230203018-A1 COVALENT INHIBITORS OF KRAS KRAS, NRAS, HRAS IDO1 3913/4885METAP2 4117/4885NOS1 2692/4885

“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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