SCHEMBL324724

SCHEMBL324724

CN1CCc2ccc([N+](=O)[O-])cc2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.51
PNMT P11086 1/20 0.51
SIRT6 Q8N6T7 1/20 0.50
GRIN1 Q05586 1/20 0.49
GRIN2B Q13224 1/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
AKR1C3 P42330 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
ALDH1A1 P00352 3/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47

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
SCHEMBL29558059 1.00 ADRA2A (0.51) ADRA2APNMTSIRT6GRIN1GRIN2B
Hydrochloric Acid SCHEMBL7832321 0.98 ADRA2A (0.50) ADRA2APNMTSIRT6GRIN1GRIN2B
SCHEMBL20232216 0.95 MAOA (0.50) ADRA2APNMTSIRT6GRIN1GRIN2B
SCHEMBL29990004 0.95 MAOA (0.50) ADRA2APNMTSIRT6GRIN1GRIN2B
SCHEMBL1950525 0.93 PNMT (0.54) ADRA2APNMTSIRT6GRIN2BNPC1
SCHEMBL1952321 0.90 LMNA (0.50) ADRA2APNMTSIRT6GRIN1GRIN2B
SCHEMBL29945643 0.88 DPP7 (0.50) ADRA2APNMTSIRT6RAB9AMEN1
SCHEMBL29119402 0.87 LMNA (0.50) ADRA2APNMTSIRT6NPC1POLB
SCHEMBL10066167 0.83 MAOA (0.47) HTR2AHTR2CHTR2BMAOAMAOB
SCHEMBL13012409 0.82 HTR1A (0.47) ADRA2APNMTSIRT6GRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12612424-B2 HPK1 inhibitors and uses thereof REGOR PHARMACEUTICALS, INC. (US) 2026-04-28 US disclosed
EP-4642767-A1 PYRIMIDINE CARBOXAMIDE COMPOUNDS Acrivon Therapeutics, Inc. (US) 2025-11-05 EP disclosed
WO-2024145505-A1 PYRIMIDINE CARBOXAMIDE COMPOUNDS ACRIVON THERAPEUTICS, INC. (US) 2024-07-04 WO disclosed
US-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF LIFEARC (GB) 2024-06-27 US disclosed
EP-3661918-B1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE ANALOGS RECURIUM IP HOLDINGS LLC (US) 2024-05-08 EP disclosed
CN-114853730-B Compounds used as HPK1 kinase inhibitor, preparation method and application thereof 中国药科大学 2024-03-26 CN disclosed
CN-114315796-B Compounds used as HPK1 kinase inhibitor, preparation method and application thereof 中国药科大学 2024-03-26 CN disclosed
EP-4320121-A2 2,4-DIAMINOPYRIMIDINE DERIVATIVES AS ULK1/2 INHIBITORS AND THEIR USE THEREOF LifeArc (GB) 2024-02-14 EP disclosed
CN-117545751-A 2, 4-diaminopyrimidine derivatives as ULK1/2 inhibitors and their use 生命爱科 2024-02-09 CN disclosed
US-20240024305-A1 METHODS AND COMPOSITIONS FOR TREATING RETINA-ASSOCIATED DISEASE USING CCR3-INHIBITORS ALKAHEST, INC. 2024-01-25 US disclosed
EP-0808307-B1 BICYCLIC ISOTHIOUREA DERIVATIVES USEFUL IN THERAPY ASTRA AB (SE) 2000-01-12 EP disclosed
WO-1999025709-A1 ISOQUINOLINE DERIVATIVES AND THEIR THERAPEUTICAL USE SMITHKLINE BEECHAM P.L.C. (GB) 1999-05-27 WO disclosed
WO-1999021836-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1999-05-06 WO disclosed
EP-0906283-A1 SUBSTITUTED BENZAMIDE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1999-04-07 EP disclosed
WO-1999014197-A1 SUBSTITUTED ISOQUINOLINES AS ANTICONVULSIVANTS SMITHKLINE BEECHAM PLC (GB) 1999-03-25 WO disclosed
WO-1998050358-A1 INDOLE DERIVATIVES HAVING COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO disclosed
US-5786364-A Bicyclic isothiourea derivatives useful in therapy ASTRA AKTIEBOLAG (SE) 1998-07-28 US disclosed
WO-1997048683-A1 SUBSTITUTED BENZAMIDE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1997-12-24 WO disclosed
EP-0808307-A1 BICYCLIC ISOTHIOUREA DERIVATIVES USEFUL IN THERAPY Astra Aktiebolag (SE) 1997-11-26 EP disclosed
WO-1996024588-A1 BICYCLIC ISOTHIOUREA DERIVATIVES USEFUL IN THERAPY ASTRA AKTIEBOLAG (SE) 1996-08-15 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 (3 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-12612424-B2 HPK1 inhibitors and uses thereof NEK11, NEK1, CSNK1A1 ADRA2A 855/4885PNMT 3161/4885SIRT6 2308/4885
US-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF ULK1, ULK2, ULK3 ADRA2A 3895/4885PNMT 3528/4885SIRT6 2096/4885
US-20240024305-A1 METHODS AND COMPOSITIONS FOR TREATING RETINA-ASSOCIATED DISEASE USING CCR3-INHIBITORS CCR3, CCR1, CCR4 ADRA2A 2966/4885PNMT 4553/4885SIRT6 4004/4885

“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.