SCHEMBL15084337

SCHEMBL15084337

CC1CC(c2ccccc2)CN(C)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 7/20 0.45
▸ BRD9 Q9H8M2 3/20 0.45
▸ BPTF Q12830 2/20 0.45
▸ BRD1 O95696 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ BRPF1 P55201 1/20 0.45
▸ KAT2A Q92830 1/20 0.45
▸ BRD7 Q9NPI1 1/20 0.45
▸ BAZ2B Q9UIF8 1/20 0.45
▸ BRPF3 Q9ULD4 1/20 0.45
▸ BRD4 O60885 3/20 0.44
▸ SRD5A1 P18405 1/20 0.42
▸ DRD2 P14416 1/20 0.40
▸ DRD1 P21728 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ DRD5 P21918 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ SETDB1 Q15047 1/20 0.40

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
SCHEMBL23815809 1.00 KAT2B (0.45) KAT2BBRD9BPTFBRD1ACHE
SCHEMBL23815736 1.00 KAT2B (0.45) KAT2BBRD9BPTFBRD1ACHE
SCHEMBL19122233 1.00 KAT2B (0.45) KAT2BBRD9BPTFBRD1ACHE
SCHEMBL23682832 1.00 KAT2B (0.45) KAT2BBRD9BPTFBRD1ACHE
SCHEMBL9910977 0.83 BRD4 (0.53) BRD4SRD5A1DRD2DRD1DRD4
SCHEMBL19121359 0.83 TSHR (0.39) KAT2BBRD9
SCHEMBL14012482 0.79 BRD4 (0.47) KAT2BBRD9BPTFBRD1ACHE
SCHEMBL11310532 0.79 BRD4 (0.43) KAT2BBRD9BRD4DRD2DRD1
SCHEMBL11310485 0.79 BRD4 (0.43) KAT2BBRD9BRD4DRD2DRD1
SCHEMBL11310351 0.79 BRD4 (0.43) KAT2BBRD9BRD4DRD2DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024003533-A1 PROTACS FOR TARGETED DEGRADATION OF KAT2A AND KAT2B FOR THE TREATMENT OF CANCER UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2024-01-04 — — WO disclosed
EP-3233858-B1 ERK INHIBITORS MERCK SHARP & DOHME (US) 2019-10-30 — — EP disclosed
US-20170266167-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 — — US disclosed
EP-2615916-B1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS MERCK SHARP & DOHME (US) 2017-01-04 — — EP disclosed
US-9242981-B2 Fused pyrazole derivatives as novel ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-26 — — US disclosed
US-20130172341-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-07-04 — — 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 (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-20170266167-A1 ERK INHIBITORS MAPK1, MAPK3, MAPK6 KAT2B 2069/4885BRD9 3191/4885BPTF 1635/4885
US-20130172341-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS MAPK1, MAPK3, MAP3K1 KAT2B 1200/4885BRD9 1290/4885BPTF 853/4885

“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.

Send feedback