SCHEMBL12467640

SCHEMBL12467640

COCCCNc1ncc(Br)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 2/20 0.45
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR2A P28223 1/20 0.38
MERTK Q12866 2/20 0.37
TYRO3 Q06418 1/20 0.37
GAS6 Q14393 1/20 0.37
EIF2AK2 P19525 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SHMT2 P34897 1/20 0.36
JAK3 P52333 1/20 0.36
KMT2A Q03164 1/20 0.35
RECQL P46063 1/20 0.35
TP53 P04637 1/20 0.35
P2RX3 P56373 1/20 0.35

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
SCHEMBL1256248 0.89 KCNH3 (0.44) KCNH3NPC1RAB9ASMN1; SMN2HTT
SCHEMBL12634194 0.82 KCNH3 (0.45) KCNH3SMN1; SMN2HTTLMNAHSD17B10
SCHEMBL25950507 0.79 KCNH3 (0.43) KCNH3SMN1; SMN2HTTLMNAHSD17B10
SCHEMBL25951649 0.79 KCNH3 (0.43) KCNH3NPC1RAB9ASMN1; SMN2HTT
SCHEMBL18145933 0.78 KCNH3 (0.42) KCNH3SMN1; SMN2HTTLMNAHSD17B10
SCHEMBL21752802 0.78 KCNH3 (0.47) KCNH3NPC1SMN1; SMN2HTTLMNA
SCHEMBL17075530 0.77 HCAR3 (0.55) KCNH3SMN1; SMN2MERTKTYRO3GAS6
SCHEMBL5496280 0.77 LMNA (0.44) KCNH3NPC1RAB9ASMN1; SMN2HTT
SCHEMBL27770901 0.76 KCNH3 (0.43) KCNH3SMN1; SMN2HTTLMNAHSD17B10
SCHEMBL28400972 0.76 LMNA (0.37) NPC1RAB9ALMNAKDM4EJAK3

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 5 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-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2015-03-19 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, NRAS KCNH3 3202/4885NPC1 3644/4885RAB9A 1340/4885
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.