SCHEMBL62239

SCHEMBL62239

Cn1cnnc1-c1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
TP53 P04637 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
KEAP1 Q14145 1/20 0.41
HAVCR2 Q8TDQ0 1/20 0.41
ACHE P22303 2/20 0.39
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSD11B2 P80365 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
CDK2 P24941 1/20 0.37
HPGD P15428 2/20 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
SCHEMBL14020814 0.83 PTK2 (0.45) ALDH1A1NPC1RAB9AKDM4EHSD17B10
SCHEMBL17148529 0.81 NOTUM (0.47) ALDH1A1TP53NPC1RAB9AKDM4E
SCHEMBL23828929 0.80 TAAR1 (0.46) ALDH1A1KDM4EL3MBTL1
SCHEMBL8763523 0.80 HSD11B1 (0.45) ALDH1A1TP53NPC1RAB9AKDM4E
SCHEMBL23291112 0.80 ALDH1A1 (0.44) ALDH1A1NPC1RAB9AKDM4EHSD17B10
SCHEMBL2477243 0.80 ALDH1A1 (0.47) ALDH1A1TP53NPC1RAB9AHSD17B10
SCHEMBL3658697 0.79 L3MBTL1 (0.59) ALDH1A1NPC1RAB9AKDM4EHSD17B10
SCHEMBL19219072 0.78 L3MBTL1 (0.46) ALDH1A1KDM4EGAAL3MBTL1SMN1; SMN2
SCHEMBL857728 0.78 ALDH1A1 (0.43) ALDH1A1RAB9AKDM4EHSD17B10GAA
SCHEMBL16978807 0.78 TSHR (0.53) ALDH1A1TP53NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117024352-A Novel inhibitors 维沃里翁治疗股份有限公司 2023-11-10 CN disclosed
EP-3897623-A1 AMINO-ACID ANILIDES AS SMALL MOLECULE MODULATORS OF IL-17 Leo Pharma A/S (DK) 2021-10-27 EP disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
WO-2020127685-A1 AMINO-ACID ANILIDES AS SMALL MOLECULE MODULATORS OF IL-17 LEO PHARMA A/S (DK) 2020-06-25 WO disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 US disclosed
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 US disclosed
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-16 US disclosed
US-7495103-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 US disclosed
EP-1974212-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH Vertex Pharmaceuticals Incorporated (US) 2008-10-01 EP disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
WO-2007075946-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO disclosed
WO-2007038314-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-05 WO disclosed
US-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US disclosed
US-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 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-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885TP53 3141/4885NPC1 28/4885
US-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators MAP3K2, MAP3K3, MAP4K2 ALDH1A1 3349/4885TP53 1484/4885NPC1 4484/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885TP53 3141/4885NPC1 28/4885
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 ALDH1A1 1376/4885TP53 4440/4885NPC1 66/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 ALDH1A1 4291/4885TP53 1460/4885NPC1 4202/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 ALDH1A1 2651/4885TP53 4152/4885NPC1 38/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 ALDH1A1 2221/4885TP53 3951/4885NPC1 95/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK ALDH1A1 4184/4885TP53 2073/4885NPC1 4434/4885

“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.