SCHEMBL17640807

SCHEMBL17640807

C=CC(=O)N1CCN(c2ccc(-c3cc(O)ccc3CC)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ ME2 P23368 7/20 0.43
▸ ME1 P48163 7/20 0.43
▸ ME3 Q16798 7/20 0.43
▸ ALDH1A1 P00352 2/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KIT P10721 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ JAK3 P52333 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ BCL2A1 Q16548 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KRAS P01116 1/20 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
SCHEMBL17634307 0.83 JAK3 (0.47) KDM4ELMNAGAAMAPTME2
SCHEMBL17640815 0.81 JAK3 (0.45) KDM4ELMNAGAAMAPTME2
SCHEMBL17640813 0.77 JAK3 (0.45) KDM4ELMNAGAAMAPTME2
SCHEMBL25045164 0.76 MAPT (0.56) KDM4ELMNAGAAMAPTALDH1A1
SCHEMBL17640832 0.72 CYP17A1 (0.47) KDM4ELMNAGAAMAPTME2
SCHEMBL22174993 0.72 AKR1C3 (0.59) KDM4ELMNAGAAMAPTALDH1A1
SCHEMBL20456544 0.69 MAPT (0.63) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL17640831 0.69 KRAS (0.52) BCL2A1KMT2AKRAS
SCHEMBL17640834 0.69 LMNA (0.48) LMNAMAPTALDH1A1SMN1; SMN2JAK3
SCHEMBL21583811 0.69 AKR1C3 (0.61) LMNAMAPTME2ME1ME3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197870-B1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC (US) 2020-08-19 — — EP disclosed
EP-3197870-B1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC (US) 2020-08-19 — — EP disclosed
US-20180141927-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC 2018-05-24 — — US disclosed
US-20180141927-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC 2018-05-24 — — US disclosed
US-9862701-B2 Inhibitors of KRAS G12C mutant proteins ARAXES PHARMA LLC (US) 2018-01-09 — — US disclosed
US-20160108019-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC 2016-04-21 — — US disclosed
US-20160108019-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC 2016-04-21 — — US disclosed
US-20160108019-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC 2016-04-21 — — US disclosed
WO-2016049524-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC (US) 2016-03-31 — — 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 (2 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-20160108019-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS KRAS, NRAS, HRAS KDM4E 3508/4885LMNA 603/4885GAA 2777/4885
US-20180141927-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS KRAS, NRAS, HRAS KDM4E 3508/4885LMNA 603/4885GAA 2777/4885

“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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