SCHEMBL6181444

SCHEMBL6181444

CCn1ncc2ccc(Br)cc21

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMO O15229 7/20 0.59
IRAK4 Q9NWZ3 2/20 0.43
HTR2A P28223 5/20 0.42
HTR2C P28335 5/20 0.42
HTR2B P41595 4/20 0.42
HTR1A P08908 2/20 0.42
ADRA2A P08913 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
HTR1D P28221 1/20 0.42
HTR7 P34969 1/20 0.42
HTR4 Q13639 1/20 0.42
FGFR1 P11362 1/20 0.42
FGFR4 P22455 1/20 0.42
NOTUM Q6P988 1/20 0.41
PTGER3 P43115 1/20 0.39
HASPIN Q8TF76 1/20 0.37

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
SCHEMBL30381343 1.00 KMO (0.59) KMOIRAK4HTR2AHTR2CHTR2B
Dimethylamine SCHEMBL7256663 0.95 KMO (0.55) KMOIRAK4HTR2AHTR2CHTR2B
SCHEMBL30928551 0.86 KMO (0.44) KMOHTR2AHTR2CHASPIN
SCHEMBL13528 0.86 KMO (0.44) KMOHTR2AHTR2CHASPIN
SCHEMBL30817517 0.84 KMO (0.60) KMOIRAK4HTR2AHTR2CHTR2B
SCHEMBL29520376 0.81 KMO (0.55) KMOIRAK4HTR2AHTR2CHTR2B
SCHEMBL29037804 0.81 KMO (0.55) KMOIRAK4HTR2AHTR2CHTR2B
SCHEMBL17673818 0.81 KMO (0.66) KMOIRAK4HTR2AHTR2CHTR2B
SCHEMBL13607530 0.80 KMO (0.60) KMOHTR2AHTR2CHTR2BHTR1A
SCHEMBL7253683 0.80 KMO (0.57) KMOIRAK4HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066349-A1 CYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2025-02-27 US disclosed
EP-4442318-A2 HETEROCYCLIC INHIBITORS OF MCT4 Vettore, LLC (US) 2024-10-09 EP disclosed
EP-3551625-B1 HETEROCYCLIC INHIBITORS OF MCT4 VETTORE LLC (US) 2024-06-12 EP disclosed
WO-2023107723-A2 METHODS FOR TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 WO disclosed
WO-2023107723-A2 METHODS FOR TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 WO disclosed
US-20230121730-A1 OXADIAZOLINE COMPOUNDS OR SALTS THEREOF, AGROHORTICULTURAL FUNGICIDES CONTAINING THE COMPOUNDS, AND METHODS OF USING THE SAME NIHON NOHYAKU CO., LTD. (JP) 2023-04-20 US disclosed
EP-2912037-B1 2-AMINOPYRIDINE COMPOUNDS MERCK PATENT GMBH (DE) 2018-08-22 EP disclosed
US-9834541-B2 2-aminopyridine compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2017-12-05 US disclosed
US-9834541-B2 2-aminopyridine compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2017-12-05 US disclosed
US-9834541-B2 2-aminopyridine compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2017-12-05 US disclosed
US-20150353548-A1 2-AMINOPYRIDINE COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-12-10 US disclosed
EP-0912521-B1 SUBSTITUTED INDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS PHOSPHODIESTERASE (PDE) TYPE IV AND THE PRODUCTION OF TUMOR NECROSIS FACTOR (TNF) PFIZER (US) 2005-04-06 EP disclosed
US-6716978-B2 FOR THERAPY AND PROHYLAXIS OF INFLAMMATORY DISEASES INCLUDING JOINT INFLAMMATION, CROHN'S DISEASE, AND INFLAMMATORY BOWEL DISEASE; RESPIRATORY DISEASES SUCH AS CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) INCLUDING ASTHMA, CHRONIC BRONCHITIS PFIZER INC 2004-04-06 US disclosed
US-20030158189-A1 Therapeutically active compounds based on indazole bioisostere replacement of catechol in PDE4 inhibitors MARFAT ANTHONY (US) 2003-08-21 US disclosed
US-6391872-B1 SENSITIVE TO ADRENERGIC ANTAGONIST PFIZER INC 2002-05-21 US disclosed
US-20020058687-A1 THERAPEUTICALLY ACTIVE COMPOUNDS BASED ON INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN PDE4 INHIBITORS MARFAT ANTHONY (US) 2002-05-16 US disclosed
US-6211222-B1 Substituted indazole derivatives and related compounds PFIZER INC 2001-04-03 US disclosed
CN-1284948-A Indazole bioisostere replacement of catechol in therapeutically active compounds PFIZER PROD INC (US) 2001-02-21 CN disclosed
CN-1281441-A Therapeutically active compounds based on indazole bioisostere replacement of catechol in PDE4 inhibitors PFIZER PROD INC (US) 2001-01-24 CN disclosed
US-6127398-A Substituted indazole derivatives and related compounds PFIZER INC (US) 2000-10-03 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 (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-20230121730-A1 OXADIAZOLINE COMPOUNDS OR SALTS THEREOF, AGROHORTICULTURAL FUNGICIDES CONTAINING THE COMPOUNDS, AND METHODS OF USING THE SAME CBR3, XDH, OXA1L KMO 188/4885IRAK4 2565/4885HTR2A 3830/4885
US-20150353548-A1 2-AMINOPYRIDINE COMPOUNDS SKP2, CDKN1A, MKI67 KMO 351/4885IRAK4 111/4885HTR2A 1028/4885
US-20030158189-A1 Therapeutically active compounds based on indazole bioisostere replacement of catechol in PDE4 inhibitors PDE4B, PDE3B, PDE4A KMO 1093/4885IRAK4 158/4885HTR2A 2355/4885
US-20250066349-A1 CYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL DISORDERS DYRK2, DYRK1A, PYGB KMO 1302/4885IRAK4 1916/4885HTR2A 805/4885
US-20020058687-A1 THERAPEUTICALLY ACTIVE COMPOUNDS BASED ON INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN PDE4 INHIBITORS PDE3B, ALPI, PDE4B KMO 1433/4885IRAK4 233/4885HTR2A 3389/4885

“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.