SCHEMBL5048586

SCHEMBL5048586

Cc1cnc2ccc(Br)cc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.57
CCR1 P32246 2/20 0.47
CCR5 P51681 2/20 0.47
CCR8 P51685 2/20 0.47
ALDH1A1 P00352 2/20 0.41
BACE1 P56817 1/20 0.41
MALT1 Q9UDY8 1/20 0.39
PSMB5 P28074 1/20 0.39
BIRC5 O15392 1/20 0.39
TNF P01375 1/20 0.38
MPO P05164 1/20 0.38
CASP3 P42574 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PSMD14 O00487 1/20 0.38
COPS5 Q92905 1/20 0.38
HTT P42858 2/20 0.37
CYP2C19 P33261 1/20 0.37
NOS1 P29475 1/20 0.37
METAP2 P50579 1/20 0.37
CSNK2A1 P68400 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
SCHEMBL31419299 0.87 CYP1A2 (0.43) CYP1A2CCR1CCR5CCR8ALDH1A1
SCHEMBL5509853 0.84 ALDH1A1 (0.50) CYP1A2CCR1CCR5CCR8ALDH1A1
SCHEMBL4540744 0.84 CYP1A2 (0.57) CYP1A2CCR1CCR5CCR8ALDH1A1
SCHEMBL29612573 0.84 CYP1A2 (0.57) CYP1A2CCR1CCR5CCR8ALDH1A1
SCHEMBL4572536 0.83 CYP1A2 (0.65) CYP1A2CCR1CCR5CCR8ALDH1A1
SCHEMBL20528292 0.83 BACE1 (0.47) CYP1A2ALDH1A1BACE1MALT1BIRC5
SCHEMBL18856407 0.77 MAOB (0.38) CYP1A2ALDH1A1PSMB5TNFKDM4E
SCHEMBL21632275 0.76 CYP1A2 (0.57) CYP1A2CCR1CCR5CCR8ALDH1A1
SCHEMBL22520176 0.76 CYP1A2 (0.57) CYP1A2CCR1CCR5CCR8ALDH1A1
SCHEMBL5537413 0.76 CYP1A2 (0.57) CYP1A2CCR1CCR5CCR8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12528791-B2 Thyroid hormone receptor beta agonist compounds TERNS PHARMACEUTICALS, INC. (US) 2026-01-20 US disclosed
EP-4547658-A1 WEE1 DEGRADING COMPOUNDS AND USES THEREOF Bristol-Myers Squibb Company (US) 2025-05-07 EP disclosed
EP-4055014-B1 PYRROLIDINE AND PIPERIDINE COMPOUNDS YUHAN CORP (KR) 2025-04-30 EP disclosed
CN-119325469-A WEE1 degrading compounds and uses thereof 百时美施贵宝公司 2025-01-17 CN disclosed
CN-114867719-B Pyrrolidine and piperidine compounds 柳韩洋行 2024-06-25 CN disclosed
WO-2024059186-A1 N-((ISOQUINOLIN-6-YL)METHYL)-1H-PYRAZOLE-4-CARBOXAMID DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS FOR THE TREATMENT OF HEREDITARY ANGIOEDEMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-03-21 WO disclosed
US-20240067632-A1 WEE1 Degrading Compounds and Uses Thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-29 US disclosed
WO-2024006881-A1 WEE1 DEGRADING COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-04 WO disclosed
US-11655235-B2 Pyrrolidine and piperidine compounds YUHAN CORPORATION (KR) 2023-05-23 US disclosed
EP-4055014-A1 PYRROLIDINE AND PIPERIDINE COMPOUNDS Yuhan Corporation (KR) 2022-09-14 EP disclosed
US-9745329-B1 Method of preparing silylative-reduced N-heterocyclic compound using organoboron catalyst INSTITUTE FOR BASIC SCIENCE (KR) 2017-08-29 US disclosed
US-20170240572-A1 METHOD OF PREPARING SILYLATIVE-REDUCED N-HETEROCYCLIC COMPOUND USING ORGANOBORON CATALYST KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-08-24 US disclosed
WO-2016076479-A1 METHOD OF PREPARING SILYLATIVE-REDUCED N-HETEROCYCLIC COMPOUND USING ORGANOBORON CATALYST INSTITUTE FOR BASIC SCIENCE (KR) 2016-05-19 WO disclosed
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
US-20050227978-A1 Fibrosis inhibitor SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2005-10-13 US disclosed
EP-1479384-A1 FIBROSIS INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-11-24 EP disclosed
US-20040209939-A1 Pyrrole derivatives SUMITOMO PHARMACEUTICALS CO., LTD. 2004-10-21 US disclosed
US-6759429-B2 HAVING TRANSFORMING GROWTH FACTOR- BETA INHIBITORY ACTIVITY AND BEING USEFUL AS FIBROSIS INHIBITORS FOR ORGANS OR TISSUES SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2004-07-06 US disclosed
US-20030181496-A1 Pyrrole derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2003-09-25 US disclosed
EP-1310485-A1 PYRROLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-05-14 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 (8 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-20050227978-A1 Fibrosis inhibitor SMAD3, MMP1, SMAD2 CYP1A2 654/4885CCR1 23/4885CCR5 228/4885
US-20170240572-A1 METHOD OF PREPARING SILYLATIVE-REDUCED N-HETEROCYCLIC COMPOUND USING ORGANOBORON CATALYST NISCH, SRI, SEPTIN8 CYP1A2 777/4885CCR1 2611/4885CCR5 1961/4885
US-12528791-B2 Thyroid hormone receptor beta agonist compounds THRB, THRA, TSHR CYP1A2 1493/4885CCR1 382/4885CCR5 534/4885
US-20030181496-A1 Pyrrole derivatives NCOA1, PKD1, NR3C2 CYP1A2 273/4885CCR1 15/4885CCR5 237/4885
US-11655235-B2 Pyrrolidine and piperidine compounds FAP, APC, VHL CYP1A2 1528/4885CCR1 1821/4885CCR5 2251/4885
US-20080214455-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 CYP1A2 4720/4885CCR1 4635/4885CCR5 4496/4885
US-20240067632-A1 WEE1 Degrading Compounds and Uses Thereof WEE1, WEE2, PPME1 CYP1A2 3456/4885CCR1 4181/4885CCR5 4526/4885
US-20040209939-A1 Pyrrole derivatives NCOA1, PKD1, NCOR1 CYP1A2 250/4885CCR1 14/4885CCR5 258/4885

“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.