SCHEMBL444913

SCHEMBL444913

CC1(C)CNCc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PNMT P11086 9/20 0.56
ADRA2A P08913 7/20 0.56
ADRA2B P18089 3/20 0.49
ADRA2C P18825 3/20 0.49
TDP2 O95551 1/20 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
SCHEMBL30561521 1.00 PNMT (0.56) PNMTADRA2AADRA2BADRA2CTDP2
SCHEMBL28332254 0.89 PNMT (0.54) PNMTADRA2AADRA2BADRA2CTDP2
1,2,3,4-Tetrahydroisoquinoline SCHEMBL7019874 0.87 PNMT (0.65) PNMTADRA2AADRA2BADRA2CTDP2
SCHEMBL1558102 0.83 PNMT (0.55) PNMTADRA2AADRA2BADRA2CTDP2
SCHEMBL30053511 0.83 PNMT (0.55) PNMTADRA2AADRA2BADRA2CTDP2
SCHEMBL383577 0.78 PNMT (0.74) PNMTADRA2AADRA2BADRA2C
SCHEMBL26640744 0.78 PNMT (0.55) PNMTADRA2AADRA2BADRA2CTDP2
Hydrochloric Acid SCHEMBL1786988 0.76 PNMT (0.72) PNMTADRA2AADRA2BADRA2C
SCHEMBL12827583 0.76 PNMT (0.49) PNMTADRA2AADRA2BADRA2CTDP2
SCHEMBL429310 0.74 MAPT (0.57) PNMTADRA2AADRA2BADRA2CTDP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050153960-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2005-07-14 US claimed
WO-2024145505-A1 PYRIMIDINE CARBOXAMIDE COMPOUNDS ACRIVON THERAPEUTICS, INC. (US) 2024-07-04 WO 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-111094253-B 1, 2-dihydro-3H-pyrazolo [3,4-d ] pyrimidin-3-one analogs 里科瑞尔姆IP控股有限责任公司 2023-08-29 CN disclosed
US-20210317124-A1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE ANALOGS RECURIUM IP HOLDINGS, LLC 2021-10-14 US disclosed
US-11124518-B2 L,2-dihydro-3H-pyrazolo[3,4-D]pyrimidin-3-one analogs RECURIUM IP HOLDINGS, LLC (US) 2021-09-21 US disclosed
EP-3661918-A1 1, 2 - DIHYDRO- 3H- PYRAZOLO [3, 4 - D]PYRIMIDIN -3 - ONE ANALOGS Recurium IP Holdings, LLC (US) 2020-06-10 EP disclosed
US-20200157112-A1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE ANALOGS RECURIUM IP HOLDINGS, LLC 2020-05-21 US disclosed
CN-111094253-A 1, 2-dihydro-3H-pyrazolo [3,4-d ] pyrimidin-3-one analogs 里科瑞尔姆IP控股有限责任公司 2020-05-01 CN disclosed
WO-2019028008-A1 1, 2 - DIHYDRO- 3H- PYRAZOLO [3, 4 - D] PYRIMIDIN -3 - ONE ANALOGS Zeno Royalties & Milestones, LLC (US) 2019-02-07 WO disclosed
US-20040204437-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2004-10-14 US disclosed
US-20040087568-A1 Substituted anthranilic amide derivatives and methods of use AMGEN INC. 2004-05-06 US disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US disclosed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP disclosed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US disclosed
US-20030195230-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-16 US disclosed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 US disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 US disclosed
US-20020147198-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2002-10-10 US disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 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 (12 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-20050153960-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR PNMT 112/4885ADRA2A 448/4885ADRA2B 381/4885
US-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC PNMT 12/4885ADRA2A 135/4885ADRA2B 140/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR PNMT 112/4885ADRA2A 448/4885ADRA2B 381/4885
US-20200157112-A1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE ANALOGS MKI67, BRCA1, CDK4 PNMT 4734/4885ADRA2A 2905/4885ADRA2B 2405/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO PNMT 26/4885ADRA2A 266/4885ADRA2B 273/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR PNMT 112/4885ADRA2A 448/4885ADRA2B 381/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 PNMT 36/4885ADRA2A 298/4885ADRA2B 221/4885
US-20210317124-A1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE ANALOGS MKI67, BRCA1, CDK4 PNMT 4734/4885ADRA2A 2905/4885ADRA2B 2405/4885
US-20040087568-A1 Substituted anthranilic amide derivatives and methods of use AADAC, ASPH, EGLN3 PNMT 3057/4885ADRA2A 1911/4885ADRA2B 2313/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR PNMT 112/4885ADRA2A 448/4885ADRA2B 381/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 PNMT 36/4885ADRA2A 298/4885ADRA2B 221/4885
US-11124518-B2 L,2-dihydro-3H-pyrazolo[3,4-D]pyrimidin-3-one analogs MKI67, BRCA1, CCND1 PNMT 4761/4885ADRA2A 2730/4885ADRA2B 2261/4885

“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.