SCHEMBL15660263

SCHEMBL15660263

CC(C)(C)c1ccc(C(=O)NCc2ccc(Br)cc2F)cc1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 16/20 0.74
▸ NR1H4 Q96RI1 11/20 0.74
▸ HDAC3 O15379 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ LMNA P02545 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ PPARG P37231 1/20 0.50
▸ AKR1B1 P15121 1/20 0.49
▸ HTT P42858 1/20 0.49

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
SCHEMBL20365215 0.85 EPHX2 (0.76) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL17645926 0.85 EPHX2 (0.74) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL17645838 0.85 EPHX2 (0.59) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL26697130 0.83 AKR1B1 (0.62) EPHX2NR1H4HDAC6AKR1B1HTT
SCHEMBL17646045 0.82 EPHX2 (0.71) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL26697181 0.80 KLKB1 (0.53) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL28158250 0.79 EPHX2 (0.67) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL26107231 0.77 HDAC3 (0.80) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL4489127 0.77 P2RX7 (0.54) AKR1B1
SCHEMBL20359069 0.77 MAPT (0.64) NR1H4HDAC3HDAC8HDAC6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119212999-A Pyrrolopyrimidine compound, preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2024-12-27 — — CN disclosed
CN-117164591-A Pyrrolopyrimidine compound, preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2023-12-05 — — CN disclosed
WO-2023226580-A1 PYRROLOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 中国医学科学院药物研究所 2023-11-30 — — WO disclosed
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 — — US disclosed
US-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-04-09 — — US disclosed
US-20180194762-A1 PYRAZOLO[3,4-b]PYRIDINE AND PYRROLO[2,3-b]PYRIDINE INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2018-07-12 — — US disclosed
US-20180194762-A1 PYRAZOLO[3,4-b]PYRIDINE AND PYRROLO[2,3-b]PYRIDINE INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2018-07-12 — — US disclosed
US-20180194762-A1 PYRAZOLO[3,4-b]PYRIDINE AND PYRROLO[2,3-b]PYRIDINE INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2018-07-12 — — US disclosed
EP-3204382-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF Merck Patent GmbH (DE) 2017-08-16 — — EP disclosed
WO-2016057500-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-14 — — WO disclosed
WO-2016057500-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-14 — — WO disclosed
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-07 — — US disclosed
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-07 — — US disclosed
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-07 — — US disclosed
US-20150284394-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (US) 2015-10-08 — — US disclosed
US-20150284394-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (US) 2015-10-08 — — US disclosed
WO-2014064131-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2014-05-01 — — WO disclosed
WO-2014064131-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2014-05-01 — — 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 (5 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-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LYN EPHX2 1940/4885NR1H4 3566/4885HDAC3 1259/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN EPHX2 2154/4885NR1H4 3942/4885HDAC3 1658/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN EPHX2 1940/4885NR1H4 3566/4885HDAC3 1259/4885
US-20150284394-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN EPHX2 3695/4885NR1H4 4383/4885HDAC3 3523/4885
US-20180194762-A1 PYRAZOLO[3,4-b]PYRIDINE AND PYRROLO[2,3-b]PYRIDINE INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LCK EPHX2 2158/4885NR1H4 4622/4885HDAC3 1836/4885

“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