SCHEMBL2894523

SCHEMBL2894523

Brc1ccc(-n2ccnc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.46
CYP1A2 P05177 4/20 0.46
CYP2D6 P10635 4/20 0.46
CYP2C19 P33261 3/20 0.46
CYP2C9 P11712 2/20 0.46
KMT2A Q03164 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2A6 P11509 1/20 0.42
PIM1 P11309 1/20 0.41
GAA P10253 1/20 0.41
CYP11B1 P15538 3/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5306190 0.80 CYP3A4 (0.55) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL8815628 0.78 GAA (0.50) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL28678423 0.78 CYP3A4 (0.59) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL4878557 0.78 LMNA (0.56) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL30753599 0.78 LMNA (0.56) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL21863403 0.78 CYP3A4 (0.46) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL17443527 0.76 GRIN2D (0.41) KMT2AALDH1A1MAPT
SCHEMBL29486491 0.76 GRIN2D (0.45) MAPK1ALDH1A1MAPT
SCHEMBL2649367 0.76 GRIN2D (0.45) MAPK1ALDH1A1MAPT
SCHEMBL16381986 0.76 PIM1 (0.32) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9

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-4676547-A2 ALPHA-SYNUCLEIN BINDERS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2026-01-14 EP disclosed
US-20250296915-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2025-09-25 US disclosed
US-20240425478-A1 CYCLOPENTYLPYRAZOLE CDK2 INHIBITORS GENENTECH INC (US) 2024-12-26 US disclosed
WO-2024186584-A2 ALPHA-SYNUCLEIN BINDERS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-09-12 WO disclosed
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 US disclosed
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 US disclosed
EP-3774739-B1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC (JP) 2022-05-11 EP disclosed
US-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC. (JP) 2021-03-18 US disclosed
US-20100286211-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS RANBAXY LABORATORIES LIMITED (IN) 2010-11-11 US disclosed
EP-1799677-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS Ranbaxy Laboratories Limited (IN) 2007-06-27 EP disclosed
WO-2006038100-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS RANBAXY LABORATORIES LIMITED (IN) 2006-04-13 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-20240425478-A1 CYCLOPENTYLPYRAZOLE CDK2 INHIBITORS CDK2, CCNI, CDK20 CYP3A4 414/4885CYP1A2 960/4885CYP2D6 343/4885
US-20100286211-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS OXA1L, PDK4, MLYCD CYP3A4 207/4885CYP1A2 1058/4885CYP2D6 295/4885
US-20250296915-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP CYP3A4 4395/4885CYP1A2 4816/4885CYP2D6 4642/4885
US-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST CRHR2, CRHR1, CRH CYP3A4 4562/4885CYP1A2 3484/4885CYP2D6 4316/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH CYP3A4 4562/4885CYP1A2 3484/4885CYP2D6 4316/4885

“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.