SCHEMBL25211116

SCHEMBL25211116

Cc1ccc(C2=NCCO2)c(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
IGF1R P08069 1/20 0.35
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
HDAC8 Q9BY41 3/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
ADRA2A P08913 2/20 0.32
ADRA1A P35348 2/20 0.32
LMNA P02545 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
MMP13 P45452 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL6515580 0.83 LMNA (0.43) SMN1; SMN2HDAC8ADRA2AADRA1ALMNA
SCHEMBL13393366 0.80 NISCH (0.40) SMN1; SMN2HDAC8ADRA2AADRA1ALMNA
SCHEMBL4500247 0.77 SMN1; SMN2 (0.38) SMN1; SMN2HDAC8LMNAPIK3CDPIK3CA
SCHEMBL28163733 0.77 HPGD (0.43) SMN1; SMN2ADRA2AADRA1ALMNANPC1
SCHEMBL3608485 0.75 SMN1; SMN2 (0.44) SMN1; SMN2ADRA2ALMNAMMP13NPC1
SCHEMBL29463408 0.75 SMN1; SMN2 (0.44) SMN1; SMN2ADRA2ALMNAMMP13NPC1
SCHEMBL25194674 0.72 SMN1; SMN2 (0.36) SMN1; SMN2HDAC8LMNAPIK3CDPIK3CA
SCHEMBL10339321 0.71 SMN1; SMN2 (0.41) SMN1; SMN2ADRA2AMMP13
SCHEMBL24434164 0.71 ALDH1A1 (0.43) SMN1; SMN2GSK3AGSK3BHTR2AHTR2C
SCHEMBL30185791 0.71 ALDH1A1 (0.43) SMN1; SMN2GSK3AGSK3BHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4185571-B1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FROM CARBOXAMIDE AND CARBOXAMIDE DERIVATIVES WITH HALOALKANOLS UNIV OF KWAZULU NATAL (ZA) 2026-05-20 EP claimed
US-12441721-B2 Synthesis of heterocyclic compounds from carboxamide and carboxamide derivatives with haloalkanols UNIVERSITY OF KWAZULU-NATAL (ZA) 2025-10-14 US claimed
US-20230295139-A1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FROM CARBOXAMIDE AND CARBOXAMIDE DERIVATIVES WITH HALOALKANOLS UNIVERSITY OF KWAZULU-NATAL (ZA) 2023-09-21 US claimed
EP-4185571-A2 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FROM CARBOXAMIDE AND CARBOXAMIDE DERIVATIVES WITH HALOALKANOLS University Of Kwazulu-Natal (ZA) 2023-05-31 EP claimed
EP-4185571-B1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FROM CARBOXAMIDE AND CARBOXAMIDE DERIVATIVES WITH HALOALKANOLS UNIV OF KWAZULU NATAL (ZA) 2026-05-20 EP disclosed
US-12441721-B2 Synthesis of heterocyclic compounds from carboxamide and carboxamide derivatives with haloalkanols UNIVERSITY OF KWAZULU-NATAL (ZA) 2025-10-14 US disclosed
EP-4556468-A2 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FROM CARBOXAMIDE AND CARBOXAMIDE DERIVATIVES WITH HALOALKANOLS University of KwaZulu-Natal (ZA) 2025-05-21 EP disclosed
US-20230295139-A1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FROM CARBOXAMIDE AND CARBOXAMIDE DERIVATIVES WITH HALOALKANOLS UNIVERSITY OF KWAZULU-NATAL (ZA) 2023-09-21 US disclosed
US-20230295139-A1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FROM CARBOXAMIDE AND CARBOXAMIDE DERIVATIVES WITH HALOALKANOLS UNIVERSITY OF KWAZULU-NATAL (ZA) 2023-09-21 US disclosed
US-20230295139-A1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FROM CARBOXAMIDE AND CARBOXAMIDE DERIVATIVES WITH HALOALKANOLS UNIVERSITY OF KWAZULU-NATAL (ZA) 2023-09-21 US disclosed
EP-4185571-A2 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FROM CARBOXAMIDE AND CARBOXAMIDE DERIVATIVES WITH HALOALKANOLS University Of Kwazulu-Natal (ZA) 2023-05-31 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 (2 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-12441721-B2 Synthesis of heterocyclic compounds from carboxamide and carboxamide derivatives with haloalkanols NAAA, CNR2, AADAC SMN1; SMN2 4831/4885IGF1R 3857/4885GSK3A 4133/4885
US-20230295139-A1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FROM CARBOXAMIDE AND CARBOXAMIDE DERIVATIVES WITH HALOALKANOLS NAAA, CNR2, AADAC SMN1; SMN2 4831/4885IGF1R 3857/4885GSK3A 4133/4885

“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.