SCHEMBL506494

SCHEMBL506494

Cn1ccnc1-c1ccc(CN)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.47
HRH3 Q9Y5N1 1/20 0.45
LOXL2 Q9Y4K0 2/20 0.43
KEAP1 Q14145 1/20 0.42
NSD2 O96028 1/20 0.41
HDAC4 P56524 2/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
AKT2 P31751 1/20 0.40
CYP2A6 P11509 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
PDK1 Q15118 1/20 0.39
KDM5B Q9UGL1 1/20 0.38
NSD3 Q9BZ95 1/20 0.38
BRD4 O60885 1/20 0.37
NMT1 P30419 1/20 0.37
CYP1A2 P05177 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
SCHEMBL10227692 0.84 HDAC4 (0.42) HDAC4CCNCCDK8PDK1KDM5B
SCHEMBL21177151 0.83 KARS1 (0.43) ADRB2LOXL2CCNCCDK8PDK1
SCHEMBL27031386 0.82 HDAC4 (0.44) HDAC4CCNCCDK8PDK1KDM5B
SCHEMBL15236227 0.82 HDAC4 (0.41) HDAC4CCNCCDK8PDK1KDM5B
SCHEMBL27031536 0.82 HDAC4 (0.41) HDAC4CCNCCDK8PDK1KDM5B
SCHEMBL77337 0.79 HDAC4 (0.47) KEAP1HDAC4CCNCCDK8KDM5B
SCHEMBL2235230 0.79 ADRB2 (0.49) ADRB2LOXL2HDAC4CCNCCDK8
SCHEMBL12775872 0.79 ESR1 (0.40) HDAC4CCNCCDK8PDK1KDM5B
SCHEMBL10194263 0.79 KDM4E (0.51) HDAC4CCNCCDK8PDK1KDM5B
SCHEMBL3385184 0.79 FLT3 (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025067540-A1 PYRAZOLOTRIAZINE AND PYRAZOLOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USE THEREOF 中国科学院上海药物研究所 2025-04-03 WO disclosed
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-20240059689-A1 PURINE DERIVATIVES AS ANTICANCER AGENTS MEDIVIR AB (SE) 2024-02-22 US disclosed
EP-4308566-A1 PURINE DERIVATIVES AS ANTICANCER AGENTS Tango Therapeutics, Inc. (US) 2024-01-24 EP disclosed
CN-117425656-A Purine derivatives as anticancer agents 探戈医药股份有限公司 2024-01-19 CN disclosed
WO-2023148643-A1 FUSED BICYCLIC HETEROCYCLYL COMPOUNDS AS USP1 INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2023-08-10 WO disclosed
WO-2022197892-A1 PURINE DERIVATIVES AS ANTICANCER AGENTS TANGO THERAPEUTICS, INC. (US) 2022-09-22 WO disclosed
US-20220281869-A1 PURINONES AS UBIQUITIN-SPECIFIC PROTEASE 1 INHIBITORS FORMA THERAPEUTICS, INC. 2022-09-08 US disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 US disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 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 (5 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-20240059689-A1 PURINE DERIVATIVES AS ANTICANCER AGENTS RRM2, TYMP, PNP ADRB2 2718/4885HRH3 911/4885LOXL2 4470/4885
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 ADRB2 67/4885HRH3 232/4885LOXL2 2266/4885
US-20220281869-A1 PURINONES AS UBIQUITIN-SPECIFIC PROTEASE 1 INHIBITORS USP1, UBA1, UBXN1 ADRB2 3892/4885HRH3 1870/4885LOXL2 2605/4885
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors USP1, UBA1, UBXN1 ADRB2 3892/4885HRH3 1870/4885LOXL2 2605/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A ADRB2 99/4885HRH3 316/4885LOXL2 2235/4885

“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.