SCHEMBL16646936

SCHEMBL16646936

Cc1c(Cl)ccc2cn[nH]c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 5/20 0.55
▸ MAPT P10636 3/20 0.52
▸ HTT P42858 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ PTK2 Q05397 2/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ FGFR1 P11362 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ PLK4 O00444 1/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ DAPK3 O43293 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ RET P07949 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ LTK P29376 1/20 0.36
▸ KDR P35968 1/20 0.36

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
SCHEMBL8404431 0.79 MAPT (0.66) NOS1MAPTHTTALDH1A1DYRK1A
SCHEMBL23083828 0.76 MAPT (0.61) NOS1MAPTHTTALDH1A1DYRK1A
SCHEMBL34465024 0.76 NOS1 (0.55) NOS1MAPTHTTALDH1A1DYRK1A
SCHEMBL22560899 0.76 NOS1 (0.55) NOS1MAPTHTTALDH1A1DYRK1A
SCHEMBL17641728 0.76 MAPT (0.52) NOS1MAPTHTTALDH1A1DYRK1A
SCHEMBL2919847 0.76 MAPT (0.61) NOS1MAPTHTTALDH1A1PTK2
SCHEMBL15687064 0.76 NOS1 (0.55) NOS1MAPTHTTALDH1A1DYRK1A
SCHEMBL19304119 0.76 NOS1 (0.50) NOS1MAPTHTTALDH1A1DYRK1A
SCHEMBL17030770 0.76 NOS1 (0.50) NOS1MAPTHTTALDH1A1DYRK1A
SCHEMBL31317149 0.72 MAPT (0.47) NOS1MAPTHTTALDH1A1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166629-A1 HETEROCYCLIC COMPOUNDS CAPABLE OF ACTIVATING STING BOEHRINGER INGELHEIM RCV GMBH & CO. KG (AT) 2024-05-23 — — US disclosed
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 — — US disclosed
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 — — US disclosed
EP-3636639-A1 INHIBITORS OF KRAS G12C Araxes Pharma LLC (US) 2020-04-15 — — EP disclosed
US-20190262342-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2019-08-29 — — US disclosed
US-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 — — US disclosed
US-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS ARAXES PHARMA LLC (US) 2017-08-31 — — US disclosed
WO-2016049568-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS ARAXES PHARMA LLC (US) 2016-03-31 — — WO disclosed
WO-2016044772-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2016-03-24 — — WO disclosed
WO-2015054572-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2015-04-16 — — 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 (4 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-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS KRAS, NRAS, HRAS NOS1 3741/4885MAPT 3744/4885HTT 1559/4885
US-20240166629-A1 HETEROCYCLIC COMPOUNDS CAPABLE OF ACTIVATING STING STING1, IRF3, CGAS NOS1 352/4885MAPT 4770/4885HTT 4324/4885
US-20190262342-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS NOS1 4598/4885MAPT 4271/4885HTT 3567/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS NOS1 4325/4885MAPT 279/4885HTT 2353/4885

“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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