SCHEMBL503223

SCHEMBL503223

Brc1ccc2[nH]ncc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 8/20 0.48
▸ METAP2 P50579 2/20 0.48
▸ CSNK2A1 P68400 1/20 0.48
▸ DYRK1A Q13627 4/20 0.44
▸ IDO1 P14902 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ AXL P30530 2/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL29509974 1.00 NOS1 (0.48) NOS1METAP2CSNK2A1DYRK1AIDO1
SCHEMBL10806951 0.74 NOS1 (0.48) NOS1METAP2CSNK2A1DYRK1AIDO1
SCHEMBL8296672 0.74 RAB9A (0.41) NOS1METAP2CSNK2A1DYRK1AIDO1
SCHEMBL21951135 0.74 NOS1 (0.48) NOS1METAP2CSNK2A1DYRK1AIDO1
SCHEMBL31414356 0.74 HSP90AA1 (0.40) NOS1METAP2CSNK2A1DYRK1AIDO1
SCHEMBL460550 0.74 HSP90AA1 (0.40) NOS1METAP2CSNK2A1DYRK1AIDO1
SCHEMBL1495350 0.74 KDM4E (0.48) NOS1METAP2CSNK2A1DYRK1AIDO1
SCHEMBL22941283 0.74 HSP90AA1 (0.40) NOS1METAP2CSNK2A1DYRK1AIDO1
SCHEMBL16253340 0.74 NOS1 (0.40) NOS1METAP2CSNK2A1DYRK1AIDO1
SCHEMBL30587598 0.74 NOS1 (0.40) NOS1METAP2CSNK2A1DYRK1AIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120842220-B Aryl amide compound and application thereof 暨南大学 2026-05-19 — — CN disclosed
EP-4482583-B1 ZWITTERIONIC ANTIBACTERIAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2026-04-01 — — EP disclosed
US-20260078117-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS INC (US) 2026-03-19 — — US disclosed
US-20250179066-A1 ZWITTERIONIC ANTIBACTERIAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-06-05 — — US disclosed
WO-2025106949-A1 WRN INHIBITORS RADD PHARMACEUTICALS, INC. (US) 2025-05-22 — — WO disclosed
US-12304907-B2 Compounds and methods of use TANGO THERAPEUTICS, INC. (US) 2025-05-20 — — US disclosed
US-12281101-B2 Bicyclic lactams and methods of use thereof GENENTECH, INC. (US) 2025-04-22 — — US disclosed
US-12275727-B2 Compound containing structure of a five-membered heteroaromatic ring, pharmaceutical compositions thereof and applications thereof 280 BIO, INC. (US) 2025-04-15 — — US disclosed
US-12264154-B2 Compounds and methods of use TANGO THERAPEUTICS, INC. (US) 2025-04-01 — — US disclosed
US-12264158-B2 Protein kinase MKK4 inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death HEPAREGENIX GMBH (DE) 2025-04-01 — — US disclosed
US-20110281838-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-17 — — US disclosed
EP-2364301-A1 ENANTIOMERICALLY ENRICHED ARYLOAZOL- 2 -YL CYANOETHYLAMINO PARACITICIDAL COMPOUNDS Merial Limited (US) 2011-09-14 — — EP disclosed
WO-2011092197-A1 5-ALKYNYL PYRIMIDINES AND THEIR USE AS KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 — — WO disclosed
WO-2011092198-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 — — WO disclosed
EP-2323992-A1 5-ALKYNYL-PYRIMIDINES Boehringer Ingelheim International GmbH (DE) 2011-05-25 — — EP disclosed
US-20110098275-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 — — US disclosed
WO-2010122069-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 — — WO disclosed
WO-2010056999-A1 ENANTIOMERICALLY ENRICHED ARYLOAZOL- 2 -YL CYANOETHYLAMINO PARACITICIDAL COMPOUNDS MERIAL LIMITED (US) 2010-05-20 — — WO disclosed
US-20100125089-A1 ENANTIOMERICALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL, INC. 2010-05-20 — — US disclosed
WO-2010012740-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-04 — — 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 (10 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-12275727-B2 Compound containing structure of a five-membered heteroaromatic ring, pharmaceutical compositions thereof and applications thereof PARG, CYP3A5, CYP11B1 NOS1 2450/4885METAP2 2141/4885CSNK2A1 3435/4885
US-20250179066-A1 ZWITTERIONIC ANTIBACTERIAL COMPOUNDS MRPL21, WIZ, CFTR NOS1 2481/4885METAP2 3653/4885CSNK2A1 1083/4885
US-12281101-B2 Bicyclic lactams and methods of use thereof LSS, LPXN, CYP1B1 NOS1 2222/4885METAP2 4498/4885CSNK2A1 907/4885
US-20110281838-A1 5-ALKYNYL-PYRIMIDINES MKI67, CCNA1, CCNT1 NOS1 1566/4885METAP2 4283/4885CSNK2A1 1128/4885
US-20100125089-A1 ENANTIOMERICALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF CYP4B1, NPY4R, CYP4X1 NOS1 3939/4885METAP2 3619/4885CSNK2A1 1277/4885
US-12264154-B2 Compounds and methods of use F12, C1R, ABCG2 NOS1 619/4885METAP2 3345/4885CSNK2A1 2420/4885
US-20110098275-A1 5-ALKYNYL-PYRIDINES MKI67, KIT, CCNA1 NOS1 641/4885METAP2 4530/4885CSNK2A1 425/4885
US-12304907-B2 Compounds and methods of use F12, C1R, ABCG2 NOS1 619/4885METAP2 3345/4885CSNK2A1 2420/4885
US-12264158-B2 Protein kinase MKK4 inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death MAPK4, MAP3K4, MAP4K1 NOS1 1373/4885METAP2 1725/4885CSNK2A1 2010/4885
US-20260078117-A1 COMPOUNDS AND METHODS OF USE NR3C2, ADRA1A, CNR1 NOS1 1666/4885METAP2 3277/4885CSNK2A1 698/4885

“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.

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