SCHEMBL1939638

SCHEMBL1939638

CCc1cc2cccnc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.50
DRD4 P21917 3/20 0.50
DRD3 P35462 3/20 0.50
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
DAO P14920 1/20 0.49
RIPK1 Q13546 10/20 0.46
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
MAPT P10636 1/20 0.43
SNCA P37840 1/20 0.43

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
SCHEMBL7411386 0.86 DRD2 (0.49) DRD2DRD4DRD3CCNE1CDK2
SCHEMBL7407178 0.83 DRD2 (0.47) DRD2DRD4DRD3CCNE1CDK2
SCHEMBL6246115 0.82 DRD2 (0.46) DRD2DRD4DRD3CCNE1CDK2
SCHEMBL25230913 0.81 DRD2 (0.50) DRD2DRD4DRD3CCNE1CDK2
SCHEMBL2176426 0.81 LOXL2 (0.52) DRD2DRD4DRD3CCNE1CDK2
SCHEMBL17451039 0.81 DRD2 (0.50) DRD2DRD4DRD3CCNE1CDK2
SCHEMBL13543890 0.81 RIPK1 (0.58) DRD2DRD4DRD3CCNE1CDK2
SCHEMBL4734771 0.81 DRD2 (0.47) DRD2DRD4DRD3CCNE1CDK2
SCHEMBL7854281 0.81 DRD2 (0.47) DRD2DRD4DRD3CCNE1CDK2
SCHEMBL26686377 0.81 NR3C1 (0.48) DRD2DRD4DRD3CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834463-B2 High affinity macrocyclic FKB51-inhibitors for treatment of psychiatric disorders Technische Universität Darmstadt (DE) 2023-12-05 US disclosed
WO-2023208124-A1 PIPERIDINE CARBOXAMIDE AZAINDANE DERIVATIVE, METHOD FOR PREPARING SAME, AND USE THEREOF 熙源安健医药(上海)有限公司 2023-11-02 WO disclosed
US-20230212171-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. 2023-07-06 US disclosed
US-20230212185-A1 HIGH AFFINITY MACROCYCLIC FKB51-INHIBITORS FOR TREATMENT OF PSYCHIATRIC DISORDERS Technische Universität Darmstadt (DE) 2023-07-06 US disclosed
WO-2022261473-A1 PROTEASE INHIBITORS FOR THE TREATMENT OF CORONAVIRUS INFECTIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-15 WO disclosed
US-20220305011-A1 FACTOR XIIA INHIBITORS UNIVERSITY OF LEEDS (GB) 2022-09-29 US disclosed
WO-2022169974-A1 INHIBITORS OF URAT1 AND PHARMACEUTICAL USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2022-08-11 WO disclosed
US-20220220111-A1 1,8-NAPHTHYRIDINONE COMPOUNDS AND USES THEREOF NUVATION BIO OPERATING COMPANY INC (US) 2022-07-14 US disclosed
US-20220119367-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS INTEGRAL BIOSCIENCES PVT. LTD. (IN) 2022-04-21 US disclosed
US-11229646-B2 Method for treating gonorrhea with (2R)-2-({4-[(3,4-dihydro-2H-pyrano[2,3-C]pyridin-6-ylmethyl)amino]-1-piperidinyl}methyl)-1,2-dihydro-3H,8H-2A,5,8A-triazaacenaphthylene-3,8-dione GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED 2022-01-25 US disclosed
WO-2008034860-A1 PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS GLAXO GROUP LIMITED (GB) 2008-03-27 WO disclosed
EP-1761529-B1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS NOVARTIS AG (CH) 2007-11-14 EP disclosed
CN-101035786-A Pyrrolopyridine derivatives and their use as CRTH2 antagonists NOVARTIS AG (CH) 2007-09-12 CN disclosed
WO-2007068418-A1 USE OF PYRROLO [2 , 3-B] PYRIDINES TO PREPARE A MEDICAMENT FOR TREATING PAIN NOVARTIS AG (CH) 2007-06-21 WO disclosed
EP-1761529-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS Novartis AG (CH) 2007-03-14 EP disclosed
WO-2005123731-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS NOVARTIS AG (CH) 2005-12-29 WO disclosed
EP-0640080-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS. SYNTEX INC (US) 1995-03-01 EP disclosed
US-5380739-A Angiotensin II antagonists SYNTEX (U.S.A.) INC. (US) 1995-01-10 US disclosed
WO-1993023391-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1993-11-25 WO disclosed
US-5212195-A Substituted indole antagonists derivatives which are angiotensin II SYNTEX (U.S.A.) INC. (US) 1993-05-18 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 (7 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-20220220111-A1 1,8-NAPHTHYRIDINONE COMPOUNDS AND USES THEREOF NME1, ADORA2A, GPR68 DRD2 1712/4885DRD4 3062/4885DRD3 2148/4885
US-20230212185-A1 HIGH AFFINITY MACROCYCLIC FKB51-INHIBITORS FOR TREATMENT OF PSYCHIATRIC DISORDERS FKBP1B, FKBP5, FKBP1A DRD2 1642/4885DRD4 2703/4885DRD3 1515/4885
US-11834463-B2 High affinity macrocyclic FKB51-inhibitors for treatment of psychiatric disorders FKBP1B, FKBP5, FKBP1A DRD2 1642/4885DRD4 2703/4885DRD3 1515/4885
US-20220119367-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 DRD2 569/4885DRD4 1613/4885DRD3 1356/4885
US-20230212171-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 DRD2 4847/4885DRD4 4792/4885DRD3 4820/4885
US-11229646-B2 Method for treating gonorrhea with (2R)-2-({4-[(3,4-dihydro-2H-pyrano[2,3-C]pyridin-6-ylmethyl)amino]-1-piperidinyl}methyl)-1,2-dihydro-3H,8H-2A,5,8A-triazaacenaphthylene-3,8-dione GMPS, GNE, DHPS DRD2 2123/4885DRD4 2132/4885DRD3 1971/4885
US-20220305011-A1 FACTOR XIIA INHIBITORS F11, F13B, F12 DRD2 4762/4885DRD4 4487/4885DRD3 4797/4885

“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.