SCHEMBL2026682

SCHEMBL2026682

N#CCCc1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TAAR1 Q96RJ0 3/20 0.50
HTR2A P28223 1/20 0.50
MAOB P27338 3/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
CYP2A6 P11509 1/20 0.38
IDO1 P14902 2/20 0.38
MAOA P21397 1/20 0.37
PYCR1 P32322 3/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP1B1 Q16678 1/20 0.36

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
SCHEMBL8764230 0.87 MEN1 (0.64) MEN1KMT2AMMP9MMP13CYP2A6
SCHEMBL19510650 0.86 TAAR1 (0.46) MEN1KMT2ATAAR1HTR2AMAOB
SCHEMBL24510654 0.83 TAAR1 (0.43) MEN1KMT2ATAAR1HTR2AMAOB
SCHEMBL7711099 0.81 MEN1 (0.52) MEN1KMT2ATAAR1HTR2AMMP9
SCHEMBL8763175 0.80 MEN1 (0.56) MEN1KMT2AMMP9MMP13CYP1A1
SCHEMBL9552869 0.80 KMT2A (0.56) MEN1KMT2AMAOBMMP9MMP13
SCHEMBL7390958 0.79 RAB9A (0.42) MEN1KMT2ATAAR1HTR2A
SCHEMBL12964909 0.76 PYCR1 (0.53) TAAR1HTR2AMAOBCYP2A6IDO1
SCHEMBL450038 0.76 ESR1 (0.59) MEN1KMT2ATAAR1CYP1A2
SCHEMBL18245397 0.76 TAAR1 (0.50) TAAR1HTR2AMAOBCYP2A6IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2694513-A1 PYRAZOLO PYRIMIDINE DERIVATIVES Novartis AG (CH) 2014-02-12 EP claimed
WO-2012131633-A1 PYRAZOLO PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2012-10-04 WO claimed
WO-2025122555-A1 S1P 1 RECEPTOR AGONISTS AND USES THEREOF VALO HEALTH, INC. (US) 2025-06-12 WO disclosed
WO-2025120242-A1 CHIMERIC RADIOPHARMACEUTICALS TARGETING THE PROTON SENSING RECEPTOR GPR4 AMPHILIX AG (CH) 2025-06-12 WO disclosed
CN-115368275-B Cyanostyrene-based aggregation-induced emission material, and preparation method and application thereof 豫章师范学院 2024-08-13 CN disclosed
CN-116964034-A Heterocyclic ring P2Y 14 Receptor antagonists 美国卫生和人力服务部 2023-10-27 CN disclosed
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 US disclosed
CN-111196770-B Simple preparation method of bromfenac sodium 新发药业有限公司 2023-04-07 CN disclosed
CN-111574438-B Red/near-infrared AIE probe, preparation method thereof and application thereof in detection of Abeta aggregates and fibrotic plaques thereof 华东理工大学 2022-10-18 CN disclosed
CN-111574438-A Red/near-infrared AIE probe, preparation method thereof and application thereof in detection of Abeta aggregates and fibrotic plaques thereof 华东理工大学 2020-08-25 CN disclosed
US-10039754-B2 Anti-viral compounds ABBVIE INC. (US) 2018-08-07 US disclosed
US-6166028-A Diaminopuridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-26 US disclosed
WO-2000034268-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034261-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034260-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
US-4226878-A ANTIINFLAMMATORY, HYPOTENSIVES, ANTIHISTAMINES KISSEI PHARMACEUTICAL CO., LTD. (JP) 1980-10-07 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 (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-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MEN1 4681/4885KMT2A 4093/4885TAAR1 4696/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS MEN1 4681/4885KMT2A 4093/4885TAAR1 4696/4885

“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.