SCHEMBL16619456

SCHEMBL16619456

CN(Cc1cncc(Br)c1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALOX15 P16050 1/20 0.39
NPC1 O15118 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
RIPK1 Q13546 1/20 0.38
MEN1 O00255 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
SCHEMBL6512291 0.83 POLB (0.47) POLBHCAR2SMN1; SMN2HTTMAPT
SCHEMBL1749636 0.82 KMT2A (0.56) POLBSMN1; SMN2HTTLMNAKMT2A
SCHEMBL22105710 0.81 RAB9A (0.41) POLBHCAR2SMN1; SMN2HTTMAPT
SCHEMBL16619756 0.81 LMNA (0.40) KDM4ELMNAKMT2AHPGDRAB9A
SCHEMBL17693545 0.80 CYP11B2 (0.46) POLBHCAR2SMN1; SMN2HTTMAPT
SCHEMBL5152701 0.79 HTR2C (0.40) POLBHCAR2SMN1; SMN2HTTMAPT
SCHEMBL7669950 0.79 KDM4E (0.38) POLBHCAR2SMN1; SMN2HTTMAPT
SCHEMBL16619604 0.79 LMNA (0.39) LMNAKMT2AHPGDRAB9ANPC1
SCHEMBL3723569 0.78 CHRNB2 (0.47) POLBHCAR2SMN1; SMN2HTTMAPT
SCHEMBL16619125 0.78 LMNA (0.38) LMNAKMT2AHPGDRAB9ANPC1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3526216-B1 BENZOTHIAZOLE DERIVATIVES AS DYRK1 INHIBITORS PHARMASUM THERAPEUTICS AS (NO) 2024-04-03 EP disclosed
US-10927106-B2 Benzothiazole derivatives as DYRK1 inhibitors PHARMASUM THERAPEUTICS AS (NO) 2021-02-23 US disclosed
US-10759799-B2 Indazole containing macrocycles and therapeutic uses thereof SAMUMED, LLC (US) 2020-09-01 US disclosed
EP-3526216-A1 BENZOTHIAZOLE DERIVATIVES AS DYRK1 INHIBITORS Pharmasum Therapeutics AS (NO) 2019-08-21 EP disclosed
EP-3052099-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2019-08-21 EP disclosed
WO-2018069468-A1 BENZOTHIAZOLE DERIVATIVES AS DYRK1 INHIBITORS PHARMASUM THERAPEUTICS AS (NO) 2018-04-19 WO disclosed
US-9486448-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2016-11-08 US disclosed
US-20160235727-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2016-08-18 US disclosed
EP-3052099-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS Merck Sharp & Dohme Corp. (US) 2016-08-10 EP disclosed
WO-2015050798-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2015-04-09 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-10927106-B2 Benzothiazole derivatives as DYRK1 inhibitors DYRK1A, DYRK1B, PDK2 POLB 2360/4885HCAR2 1840/4885SMN1; SMN2 2813/4885
US-10759799-B2 Indazole containing macrocycles and therapeutic uses thereof WNT1, WNT3, WNT3A POLB 3283/4885HCAR2 3413/4885SMN1; SMN2 2883/4885
US-20160235727-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 POLB 1209/4885HCAR2 328/4885SMN1; SMN2 3475/4885

“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.