SCHEMBL104612

SCHEMBL104612

Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
GAA P10253 1/20 0.54
MAPK1 P28482 1/20 0.54
NR1H4 Q96RI1 2/20 0.53
PPARG P37231 1/20 0.53
LIPE Q05469 6/20 0.50
ALDH1A1 P00352 1/20 0.49
GLA P06280 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
BTK Q06187 1/20 0.47
MAPT P10636 2/20 0.47
RECQL P46063 1/20 0.47
DHPS P49366 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL29709477 1.00 RAB9A (0.54) RAB9ANPC1SMN1; SMN2GAAMAPK1
SCHEMBL2997564 0.92 LIPE (0.49) RAB9ANPC1SMN1; SMN2GAAMAPK1
SCHEMBL15607795 0.89 LIPE (0.61) RAB9ANPC1SMN1; SMN2GAAMAPK1
SCHEMBL13893964 0.89 MAPT (0.49) RAB9ANPC1SMN1; SMN2LIPEL3MBTL1
SCHEMBL16333710 0.88 LIPE (0.46) RAB9ANPC1SMN1; SMN2GAAMAPK1
SCHEMBL13765533 0.88 LIPE (0.51) RAB9ANPC1SMN1; SMN2GAAMAPK1
SCHEMBL26109550 0.88 POLB (0.50) RAB9ANPC1MAPK1NR1H4PPARG
SCHEMBL30586951 0.87 MEN1 (0.51) SMN1; SMN2LIPEALDH1A1MAPTMEN1
SCHEMBL124355 0.87 MEN1 (0.51) SMN1; SMN2LIPEALDH1A1MAPTMEN1
SCHEMBL2992272 0.87 LIPE (0.51) RAB9ANPC1SMN1; SMN2GAAMAPK1

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 84 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023183652-A1 DUAL CXCR4-BTK INHIBITORS X4 PHARMACEUTICALS, INC. (US) 2023-09-28 WO disclosed
WO-2023183652-A1 DUAL CXCR4-BTK INHIBITORS X4 PHARMACEUTICALS, INC. (US) 2023-09-28 WO disclosed
CN-113583007-B Pyrrolopyrimidine BTK inhibitor and preparation method and application thereof 山东大学 2022-06-10 CN disclosed
EP-4008328-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS AbbVie Inc. (US) 2022-06-08 EP disclosed
EP-3204382-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-12-01 EP disclosed
EP-3204382-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-12-01 EP disclosed
CN-113583007-A Pyrrolopyrimidine BTK inhibitor and preparation method and application thereof 山东大学 2021-11-02 CN disclosed
US-20210179556-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. 2021-06-17 US disclosed
US-10669238-B2 Irreversible bruton's tyrosine kinase inhibitor HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES (CN) 2020-06-02 US disclosed
EP-3280419-B1 INDAZOLE AND AZAINDAZOLE BTK INHIBITORS MERCK SHARP & DOHME (US) 2019-10-30 EP disclosed
EP-2068849-A2 KINASE INHIBITORS, AND METHODS OF USING AND IDENTIFYING KINASE INHIBITORS CGI Pharmaceuticals, Inc. (US) 2009-06-17 EP disclosed
WO-2009053269-A1 NOVEL KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO disclosed
US-20090105209-A1 BTK protein kinase inhibitors ROCHE PALO ALTO LLC 2009-04-23 US disclosed
US-20080153834-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof GILEAD CONNECTICUT, INC. 2008-06-26 US disclosed
US-20080139557-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT, INC. 2008-06-12 US disclosed
WO-2008033858-A2 KINASE INHIBITORS, AND METHODS OF USING AND IDENTIFYING KINASE INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2008-03-20 WO disclosed
WO-2008033858-A2 KINASE INHIBITORS, AND METHODS OF USING AND IDENTIFYING KINASE INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2008-03-20 WO disclosed
EP-1863766-A2 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI Pharmaceuticals, Inc. (US) 2007-12-12 EP disclosed
US-20060229337-A1 Certain substituted amides, method of making, and method of use thereof GILEAD CONNECTICUT, INC. 2006-10-12 US disclosed
WO-2006099075-A2 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. (US) 2006-09-21 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 (6 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-20080139557-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, SYK, MYD88 RAB9A 2778/4885NPC1 1118/4885SMN1; SMN2 3588/4885
US-10669238-B2 Irreversible bruton's tyrosine kinase inhibitor BTK, ABL1, SYK RAB9A 2595/4885NPC1 2247/4885SMN1; SMN2 1229/4885
US-20210179556-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 RAB9A 2208/4885NPC1 2919/4885SMN1; SMN2 4120/4885
US-20090105209-A1 BTK protein kinase inhibitors BTK, SYK, LYN RAB9A 1663/4885NPC1 4365/4885SMN1; SMN2 4495/4885
US-20060229337-A1 Certain substituted amides, method of making, and method of use thereof BTK, SYK, MYD88 RAB9A 3055/4885NPC1 1749/4885SMN1; SMN2 3454/4885
US-20080153834-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof BTK, SYK, MYD88 RAB9A 2778/4885NPC1 1118/4885SMN1; SMN2 3588/4885

“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.