SCHEMBL440693

SCHEMBL440693

Nc1cc(Cl)c(C(F)(F)F)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
CD44 P16070 1/20 0.42
IDO1 P14902 2/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL29770447 1.00 GAA (0.46) GAACD44IDO1HTR3EHTR3B
SCHEMBL21728912 0.88 GAA (0.57) GAACD44IDO1HTR3EHTR3B
SCHEMBL28737232 0.88 GAA (0.50) GAAIDO1HTR3EHTR3BHTR3A
SCHEMBL29398605 0.88 GAA (0.57) GAACD44IDO1HTR3EHTR3B
Hydrochloric Acid SCHEMBL7271091 0.86 GAA (0.48) GAAIDO1HTR3EHTR3BHTR3A
SCHEMBL28970675 0.84 HTR3E (0.42) GAAIDO1HTR3EHTR3BHTR3A
SCHEMBL30296285 0.84 GAA (0.40) GAACD44IDO1HTR3EHTR3B
SCHEMBL9728339 0.84 GAA (0.40) GAACD44IDO1HTR3EHTR3B
SCHEMBL2271135 0.82 GAA (0.39) GAACD44IDO1HTR3EHTR3B
SCHEMBL16919120 0.82 AR (0.44) GAACD44IDO1HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132479-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2024-04-25 US disclosed
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. 2021-08-19 US disclosed
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. 2021-08-19 US disclosed
WO-2020099511-A1 BENZIMIDAZOLE-2-METHYL-MORPHOLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2020-05-22 WO disclosed
US-10576087-B2 Fused tricyclic compounds as Raf kinase inhibitors BEIGENE, LTD. (KY) 2020-03-03 US disclosed
US-10576087-B2 Fused tricyclic compounds as Raf kinase inhibitors BEIGENE, LTD. (KY) 2020-03-03 US disclosed
WO-2020007964-A1 2-(2-AZABICYCLO[3.1.0]HEXAN-1-YL)-1H-BENZIMIDAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2020-01-09 WO disclosed
US-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 US disclosed
US-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 US disclosed
EP-3500567-A1 ANTIBIOTIC COMPOUNDS Discuva Ltd. (GB) 2019-06-26 EP disclosed
EP-0783495-B1 QUINOXALINE DERIVATIVES USEFUL IN THERAPY PFIZER LTD (GB) 2002-02-27 EP disclosed
US-5852016-A Quinoxaline derivatives useful in therapy PFIZER INC. (US) 1998-12-22 US disclosed
CN-1158610-A Quinoxaline derivatives useful in therapy PFIZER LTD (IE) 1997-09-03 CN disclosed
EP-0783495-A1 QUINOXALINE DERIVATIVES USEFUL IN THERAPY Pfizer Limited (GB) 1997-07-16 EP disclosed
US-5622952-A NERVOUS SYSTEM DISORDERS; ADMINISTERING 1,4-DIHYDROQUINOXALINE-2,3-DIONE STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1997-04-22 US disclosed
US-5620979-A TREATING NEURONAL LOSS ASSOCIATED WITH STROKE, ISCHEMIA, CENTRAL NERVOUS SYSTEM TRAUMA, HYPOGLYCEMIA OR SURGERY STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1997-04-15 US disclosed
US-5514680-A ANTICONVULSANTS WITH 5,6,7-TRISUBSTITUTED-1,4-DIHYDROQUINOXALINE-2,3-DIONE THE STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY (US) 1996-05-07 US disclosed
WO-1996009295-A1 QUINOXALINE DERIVATIVES USEFUL IN THERAPY PFIZER LIMITED (GB) 1996-03-28 WO disclosed
EP-0251013-B1 FLUORINE CONTAINING O-AMINOPHENOLS BAYER AG (DE) 1991-08-21 EP disclosed
EP-0251013-A2 Fluorine containing o-aminophenols BAYER AG (DE) 1988-01-07 EP 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 (4 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-20190194179-A1 ANTIBIOTIC COMPOUNDS B3GNT2, RPN2, RPN1 GAA 77/4885CD44 4539/4885IDO1 2839/4885
US-20240132479-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF CUTA, DCXR, PLOD3 GAA 3306/4885CD44 341/4885IDO1 2766/4885
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 GAA 2247/4885CD44 4357/4885IDO1 2182/4885
US-10576087-B2 Fused tricyclic compounds as Raf kinase inhibitors BRAF, RAF1, ARAF GAA 2980/4885CD44 2941/4885IDO1 4562/4885

“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.