SCHEMBL20314846

SCHEMBL20314846

CC(C)c1ccc(OCCN(C)C)cc1C(C)C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 5/20 0.51
GBA1 P04062 2/20 0.50
HRH3 Q9Y5N1 2/20 0.50
CHRNB2 P17787 2/20 0.50
CHRNA4 P43681 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
LTA4H P09960 2/20 0.49
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL20334629 0.87 KDM4E (0.49) KDM4EALDH1A1GBA1HRH3CHRNB2
SCHEMBL13119614 0.87 KDM4E (0.57) KDM4EALDH1A1GBA1HRH3CHRNB2
SCHEMBL23939166 0.85 KDM4E (0.48) KDM4EALDH1A1GBA1HRH3CHRNB2
SCHEMBL20326554 0.85 KEAP1 (0.43) KDM4EALDH1A1GBA1HRH3CHRNB2
SCHEMBL23278125 0.84 KDM4E (0.53) KDM4EALDH1A1GBA1HRH3CHRNB2
SCHEMBL10357854 0.83 KDM4E (0.61) KDM4ELTA4HMAPTSMN1; SMN2
SCHEMBL25696427 0.83 CHRNB2 (0.48) KDM4EALDH1A1GBA1HRH3CHRNB2
SCHEMBL25893482 0.82 KDM4E (0.45) KDM4EALDH1A1GBA1HRH3CHRNB2
SCHEMBL20314859 0.80 KDM4E (0.45) KDM4ELTA4HMAPT
SCHEMBL20327152 0.79 CARM1 (0.55) KDM4ETDP1LTA4HSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4328229-A2 SUBSTITUTED HETEROCYCLIC FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2024-02-28 EP disclosed
US-20220168280-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-06-02 US disclosed
EP-4001269-A1 BENZOISOTHIAZOLE, ISOTHIAZOLO[3,4-B]PYRIDINE, QUINAZOLINE, PHTHALAZINE, PYRIDO[2,3-D]PYRIDAZINE AND PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS FOR TREATING LUNG, PANCREATIC OR COLORECTAL CANCER Amgen Inc. (US) 2022-05-25 EP disclosed
US-11285135-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2022-03-29 US disclosed
EP-3558955-B1 BENZISOTHIAZOLE, ISOTHIAZOLO[3,4-B]PYRIDINE, QUINAZOLINE, PHTHALAZINE, PYRIDO[2,3-D]PYRIDAZINE AND PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS FOR TREATING LUNG, PANCREATIC OR COLORECTAL CANCER AMGEN INC (US) 2021-08-11 EP disclosed
US-11045484-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-06-29 US disclosed
US-10988485-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-04-27 US disclosed
US-20210009577-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2021-01-14 US disclosed
US-20200069657-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2020-03-05 US disclosed
US-20200055845-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2020-02-20 US disclosed
US-10519146-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2019-12-31 US disclosed
US-20190345169-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2019-11-14 US disclosed
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2018-06-28 US disclosed
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2018-06-28 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 (10 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-10519146-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS KDM4E 4105/4885ALDH1A1 4162/4885GBA1 2343/4885
US-20200069657-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS KDM4E 4181/4885ALDH1A1 3939/4885GBA1 2236/4885
US-11045484-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS KDM4E 4105/4885ALDH1A1 4162/4885GBA1 2343/4885
US-11285135-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS KDM4E 4090/4885ALDH1A1 2150/4885GBA1 2482/4885
US-20190345169-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS KDM4E 4105/4885ALDH1A1 4162/4885GBA1 2343/4885
US-10988485-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS KDM4E 4105/4885ALDH1A1 4162/4885GBA1 2343/4885
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS KDM4E 4105/4885ALDH1A1 4162/4885GBA1 2343/4885
US-20220168280-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS KDM4E 4105/4885ALDH1A1 4162/4885GBA1 2343/4885
US-20210009577-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS KDM4E 4105/4885ALDH1A1 4162/4885GBA1 2343/4885
US-20200055845-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS KDM4E 4174/4885ALDH1A1 4155/4885GBA1 2164/4885

“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.