SCHEMBL9962267

SCHEMBL9962267

CC(C)(C)c1cccn(C(C)(C)C)c1=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.37
ALDH1A1 P00352 5/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 2/20 0.33
RBP4 P02753 2/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
BCHE P06276 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL22791893 0.84 ALDH1A1 (0.41) CA2ALDH1A1TDP1MAPTL3MBTL1
SCHEMBL15357740 0.77 MGLL (0.36) CA2ALDH1A1TSHRMAPTNPSR1
SCHEMBL783006 0.77 ALDH1A1 (0.39) CA2ALDH1A1TSHRTDP1MAPT
SCHEMBL19000959 0.76 CA2 (0.35) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL23029063 0.75 CA2 (0.37) CA2ALDH1A1TSHRTDP1MAPT
SCHEMBL13036904 0.75 CA2 (0.46) CA2ALDH1A1TSHRTDP1RBP4
SCHEMBL13036905 0.75 HDAC4 (0.41) CA2ALDH1A1TSHRTDP1MAPT
SCHEMBL12563132 0.75 MEN1 (0.35) ALDH1A1TSHRMAPT
SCHEMBL16812507 0.75 GAA (0.34) CA2ALDH1A1TSHRMAPT
SCHEMBL9965511 0.73 MGLL (0.41) ALDH1A1TSHRMAPTGABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 US disclosed
US-20180065974-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-03-08 US disclosed
US-9790229-B2 Bruton's tyrosine kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2017-10-17 US disclosed
US-20170210728-A1 Cannabinergic Nitrate Esters And Related Analogs NORTHEASTERN UNIVERSITY 2017-07-27 US disclosed
US-9580400-B2 Cannabinergic nitrate esters and related analogs NORTHEASTERN UNIVERSITY (US) 2017-02-28 US disclosed
US-20160376281-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2016-12-29 US disclosed
US-9428542-B2 Lupane triterpenoid derivatives and pharmaceutical use thereof JIANGXI QINGFENG PHARMACEUTICAL INC. (CN) 2016-08-30 US disclosed
US-9249146-B2 Bruton'S tyrosine kinase inhibitors BIOGEN MA INC. (US) 2016-02-02 US disclosed
US-20160002195-A1 CANNABINERGIC NITRATE ESTERS AND RELATED ANALOGS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-07 US disclosed
US-20150011517-A1 LUPANE TRITERPENOID DERIVATIVES AND PHARMACEUTICAL USE THEREOF JIANGXI QINGFENG PHARMACEUTICAL INC. (CN) 2015-01-08 US disclosed
US-20140309212-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2014-10-16 US disclosed
US-8785440-B2 Bruton's tyrosine kinase inhibitors BIOGEN IDEC MA, INC. (US) 2014-07-22 US disclosed
US-20120157443-A1 BRUTON'S TYROSINE KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2012-06-21 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 (8 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-20160376281-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK CA2 2659/4885ALDH1A1 4783/4885TSHR 3612/4885
US-20140309212-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK CA2 2659/4885ALDH1A1 4783/4885TSHR 3612/4885
US-20150011517-A1 LUPANE TRITERPENOID DERIVATIVES AND PHARMACEUTICAL USE THEREOF LSS, FURIN, CYP51A1 CA2 4516/4885ALDH1A1 4162/4885TSHR 3693/4885
US-20160002195-A1 CANNABINERGIC NITRATE ESTERS AND RELATED ANALOGS CNR2, CNR1, CHRNB3 CA2 1854/4885ALDH1A1 1850/4885TSHR 2943/4885
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF ADORA2A, ADORA2B, ADORA3 CA2 1707/4885ALDH1A1 616/4885TSHR 510/4885
US-20120157443-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK CA2 2659/4885ALDH1A1 4783/4885TSHR 3612/4885
US-20170210728-A1 Cannabinergic Nitrate Esters And Related Analogs CNR2, CNR1, CHRNB3 CA2 1854/4885ALDH1A1 1850/4885TSHR 2943/4885
US-20180065974-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK CA2 2659/4885ALDH1A1 4783/4885TSHR 3612/4885

“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.