SCHEMBL1256248

SCHEMBL1256248

COCCNc1ncc(Br)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 4/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
P2RX3 P56373 1/20 0.41
P2RX2 Q9UBL9 1/20 0.41
MAPT P10636 2/20 0.41
HCAR3 P49019 1/20 0.41
ACACB O00763 1/20 0.40
RECQL P46063 1/20 0.40
LDHA P00338 1/20 0.38
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
PDE5A O76074 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36

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
SCHEMBL12467640 0.89 KCNH3 (0.45) KCNH3NPC1RAB9AP2RX3P2RX2
SCHEMBL21093216 0.82 PDE5A (0.46) KCNH3P2RX3P2RX2MAPTHCAR3
SCHEMBL22627022 0.81 KCNH3 (0.44) KCNH3P2RX3P2RX2MAPTHCAR3
SCHEMBL26679920 0.80 P2RX3 (0.40) KCNH3P2RX3P2RX2MAPTHCAR3
SCHEMBL31390123 0.80 P2RX3 (0.40) KCNH3P2RX3P2RX2MAPTHCAR3
SCHEMBL23094512 0.78 ACACB (0.44) KCNH3P2RX3P2RX2MAPTHCAR3
SCHEMBL27083128 0.78 HCAR3 (0.42) KCNH3P2RX3P2RX2MAPTHCAR3
SCHEMBL18610936 0.78 P2RX3 (0.45) KCNH3NPC1RAB9AP2RX3P2RX2
SCHEMBL12412535 0.78 KCNH3 (0.41) KCNH3RAB9AP2RX3P2RX2MAPT
SCHEMBL10293545 0.78 NPC1 (0.47) NPC1RAB9AHCAR3ACACBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912701-B2 Protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death HEPAREGENIX GMBH (DE) 2024-02-27 US disclosed
US-9440969-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-09-13 US disclosed
US-9434743-B2 Indazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-09-06 US disclosed
US-9073895-B2 Biarylamide inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 US disclosed
US-9073895-B2 Biarylamide inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 US disclosed
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2015-03-19 US disclosed
US-20150005232-A1 INDAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2015-01-01 US disclosed
WO-2013130855-A1 INDAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-09-06 WO disclosed
US-20130035326-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-02-07 US disclosed
US-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
EP-2467137-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2012-06-27 EP disclosed
CN-102470127-A Biaryl compounds and methods of use thereof AMBIT BIOSCIENCES CORP 2012-05-23 CN disclosed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 US disclosed
WO-2011079133-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-06-30 WO disclosed
WO-2011022473-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2011-02-24 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-11912701-B2 Protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death MAPK4, MAPK7, MAPK14 KCNH3 3712/4885NPC1 3659/4885RAB9A 1638/4885
US-20150005232-A1 INDAZOLE DERIVATIVES GPR119, INSR, INSRR KCNH3 2431/4885NPC1 178/4885RAB9A 496/4885
US-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTB4R2, LTC4S KCNH3 1581/4885NPC1 407/4885RAB9A 1585/4885
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, NRAS KCNH3 3202/4885NPC1 3644/4885RAB9A 1340/4885
US-20130035326-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF FLT3, CSF3R, CSF1R KCNH3 2994/4885NPC1 1964/4885RAB9A 1902/4885
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, NRAS KCNH3 3202/4885NPC1 3644/4885RAB9A 1340/4885

“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.