SCHEMBL1504796

SCHEMBL1504796

[c]1cnc(-c2ccccc2)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.43
ADK P55263 1/20 0.43
NISCH Q9Y2I1 1/20 0.43
NPY5R Q15761 2/20 0.42
SCN2A Q99250 2/20 0.42
DCUN1D1 Q96GG9 3/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
BTK Q06187 1/20 0.38
PIN1 Q13526 1/20 0.37
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
HPGDS O60760 3/20 0.36
ALOX15 P16050 1/20 0.34

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
SCHEMBL2093554 0.77 IDO1 (0.53) NPY5RSCN2APIN1ALDH1A1NPC1
SCHEMBL1427996 0.72 KDM4E (0.50) MTORNPY5RBTKALDH1A1NPC1
SCHEMBL6002988 0.70 ALDH1A1 (0.41) ALDH1A1
SCHEMBL18437159 0.68 AKT2 (0.41)
SCHEMBL384952 0.62 NPC1 (0.61) MTORADKNISCHNPY5RSCN2A
SCHEMBL24317555 0.60 NPC1 (0.59) MTORADKNISCHNPY5RSCN2A
2-Phenylimidazole SCHEMBL31511436 0.59 NISCH (0.95) MTORADKNISCHNPY5RSCN2A
SCHEMBL195477 0.57 ALDH1A1 (0.53) ALDH1A1NPC1RAB9AMEN1CYP1A2
Biphenyl SCHEMBL4002609 0.57 ALDH1A1 (1.00) ALDH1A1NPC1RAB9ACYP1A2CYP3A4
Biphenyl SCHEMBL1358618 0.57 ALDH1A1 (1.00) ALDH1A1NPC1RAB9ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6562840-B1 Non-peptidic inhibitors of proteolytic enzymes such as urokinase 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-05-13 US claimed
US-6291514-B1 Heteroaryl amidines, methylamidines and guanidines, preparation thereof, and use thereof as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-09-18 US claimed
WO-2023198873-A1 DEUTERATED RORGAMMA/RORGAMMAT INVERSE AGONISTS IMMUNIC AG (DE) 2023-10-19 WO disclosed
WO-2023281097-A1 METHODS FOR TREATING CANCER IMMUNIC AG (DE) 2023-01-12 WO disclosed
US-11542234-B2 2-alkoxy-6-[18F]fluoronicotinoyl substituted lys-c(O)-glu derivatives as efficient probes for imaging of PSMA expressing tissues UNIVERSITÄT ZU KÖLN (DE) 2023-01-03 US disclosed
CN-110337294-B Pyrrolopyrimidines as CFTR potentiators 囊性纤维化基金会 2022-11-01 CN disclosed
EP-4074708-A1 1-(4-(ISOXAZOL-5-YL)-1H-PYRAZOL-1-YL)-2-METHYLPROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS IL-7 AND IFN-GAMMA INHIBITORS FOR TREATING AUTOIMMUNE DISEASES AND CHRONIC INFLAMMATION Immunic AG (DE) 2022-10-19 EP disclosed
EP-3679034-B1 1-(4-(ISOXAZOL-5-YL)-1H-PYRAZOL-1-YL)-2-METHYLPROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS IL-7 AND IFN-GAMMA INHIBITORS FOR TREATING AUTOIMMUNE DISEASES AND CHRONIC INFLAMMATION IMMUNIC AG (DE) 2022-06-01 EP disclosed
US-20210061796-A1 IL-17 and IFN-gamma inhibition for the treatment of autoimmune diseases and chronic inflammation IMMUNIC AG (DE) 2021-03-04 US disclosed
US-20210032206-A1 2-Alkoxy-6-[18F]fluoronicotinoyl substituted Lys-C(O)-Glu derivatives as efficient probes for imaging of PSMA expressing tissues UNIVERSITÄT ZU KÖLN (DE) 2021-02-04 US disclosed
EP-3765097-A1 2-ALKOXY-6-[18F]FLUORONICOTINOYL SUBSTITUTED LYS-C(O)-GLU DERIVATIVES AS EFFICIENT PROBES FOR IMAGING OF PSMA EXPRESSING TISSUES Universität zu Köln (DE) 2021-01-20 EP disclosed
US-6403633-B2 USEFUL ANTIANGIOGENIC, ANTIARTHRITIC, ANTIINFLAMMATORY, ANTIRESTENOTIC, ANTIINVASIVE, ANTIMETASTIC, ANTIOSTEOPOROTIC, ANTIRETINOPATHIC, CONTRACEPTIVE AND TUMORISTATIC TREATMENT AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-06-11 US disclosed
US-20020037915-A1 Compounds and compositons for treating C1s-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-03-28 US disclosed
EP-1152759-A2 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-14 EP disclosed
EP-1150979-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-07 EP disclosed
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors ILLIG CARL R (US) 2001-10-18 US disclosed
US-6291514-B1 Heteroaryl amidines, methylamidines and guanidines, preparation thereof, and use thereof as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-09-18 US disclosed
WO-2000047194-A9 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR DIMENSIONAL PHARM INC (US) 2001-05-31 WO disclosed
WO-2000047578-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO disclosed
WO-2000047194-A2 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 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 (5 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-20210061796-A1 IL-17 and IFN-gamma inhibition for the treatment of autoimmune diseases and chronic inflammation IFNG, IL17A, IFNAR1 MTOR 2260/4885ADK 3356/4885NISCH 3414/4885
US-20020037915-A1 Compounds and compositons for treating C1s-mediated diseases and conditions C1S, C1R, C9 MTOR 2416/4885ADK 4523/4885NISCH 358/4885
US-20210032206-A1 2-Alkoxy-6-[18F]fluoronicotinoyl substituted Lys-C(O)-Glu derivatives as efficient probes for imaging of PSMA expressing tissues FGB, GLUL, PYGB MTOR 4826/4885ADK 2546/4885NISCH 4803/4885
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors SERPINE1, PRSS3, PRSS2 MTOR 4127/4885ADK 1727/4885NISCH 658/4885
US-11542234-B2 2-alkoxy-6-[18F]fluoronicotinoyl substituted lys-c(O)-glu derivatives as efficient probes for imaging of PSMA expressing tissues FGB, GLUL, PYGB MTOR 4826/4885ADK 2546/4885NISCH 4803/4885

“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.