SCHEMBL1068162

SCHEMBL1068162

Cc1c(NC(=O)c2cc3c(s2)CCCC3)cccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.51
RAB9A P51151 10/20 0.51
SMN1; SMN2 Q16637 7/20 0.51
NPC1 O15118 7/20 0.51
MAPT P10636 5/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
KDM4E B2RXH2 6/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HPGD P15428 6/20 0.48
TSHR P16473 3/20 0.48
TP53 P04637 3/20 0.48
HSD17B10 Q99714 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
BTK Q06187 3/20 0.47
LMNA P02545 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 2/20 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
SCHEMBL29709500 1.00 ALDH1A1 (0.51) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL11987771 0.99 ALDH1A1 (0.51) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL1205527 0.82 ALDH1A1 (0.49) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL105072 0.81 DHPS (0.50) ALDH1A1RAB9ABTKLMNASTAT1
SCHEMBL18130771 0.81 ALDH1A1 (0.42) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL21452323 0.80 BRD4 (0.42) ALDH1A1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL1204429 0.80 ALDH1A1 (0.52) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL28928116 0.79 ALDH1A1 (0.59) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL9985857 0.78 RAB9A (0.51) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL29782491 0.76 BTK (0.46) RAB9ASMN1; SMN2NPC1MAPTBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4008328-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS AbbVie Inc. (US) 2022-06-08 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-20190284135-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. 2019-09-19 US disclosed
EP-3483167-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS AbbVie Inc. (US) 2019-05-15 EP disclosed
EP-3013337-B1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC (US) 2018-10-31 EP disclosed
US-20170174624-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. (US) 2017-06-22 US disclosed
US-9567339-B2 Primary carboxamides as BTK inhibitors ABBVIE INC. (US) 2017-02-14 US disclosed
EP-2188267-B1 SUBSTITUTED AMIDES, METHODS OF MAKING, USE THEREOF FOR THE TREATMENT OF DISEASES SUCH AS CANCER GILEAD CONNECTICUT INC (US) 2016-08-03 EP disclosed
EP-2081923-B1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT INC (US) 2016-03-16 EP disclosed
US-20090105209-A1 BTK protein kinase inhibitors ROCHE PALO ALTO LLC 2009-04-23 US disclosed
WO-2009039397-A2 SUBSTITUTED AMIDES, METHODS OF MAKING, USE THEREOF FOR THE TREATMENT OF DISEASES SUCH AS CANCER CGI PHARMACEUTICALS, INC. (US) 2009-03-26 WO disclosed
US-20090082330-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT, INC. 2009-03-26 US disclosed
US-20090082330-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT, INC. 2009-03-26 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 (7 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 ALDH1A1 2556/4885RAB9A 2778/4885SMN1; SMN2 3588/4885
US-20210179556-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 ALDH1A1 2557/4885RAB9A 2208/4885SMN1; SMN2 4120/4885
US-20090105209-A1 BTK protein kinase inhibitors BTK, SYK, LYN ALDH1A1 3990/4885RAB9A 1663/4885SMN1; SMN2 4495/4885
US-20060229337-A1 Certain substituted amides, method of making, and method of use thereof BTK, SYK, MYD88 ALDH1A1 3686/4885RAB9A 3055/4885SMN1; SMN2 3454/4885
US-20190284135-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 ALDH1A1 2557/4885RAB9A 2208/4885SMN1; SMN2 4120/4885
US-20090082330-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, SYK, MYD88 ALDH1A1 3393/4885RAB9A 2467/4885SMN1; SMN2 3343/4885
US-20170174624-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 ALDH1A1 2557/4885RAB9A 2208/4885SMN1; SMN2 4120/4885

“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.