SCHEMBL3344562

SCHEMBL3344562

Cc1cc2ncccc2cc1N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.62
ALDH1A1 P00352 6/20 0.53
CASP1 P29466 3/20 0.53
MAPT P10636 3/20 0.53
HTT P42858 2/20 0.53
ATM Q13315 2/20 0.53
KDM4E B2RXH2 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HSD17B10 Q99714 2/20 0.53
TP53 P04637 1/20 0.53
HSP90AA1 P07900 1/20 0.53
HSP90AB1 P08238 1/20 0.53
TSHR P16473 1/20 0.53
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
PRMT5 O14744 1/20 0.47
LMNA P02545 1/20 0.47
NPC1 O15118 3/20 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
Hydrochloric Acid SCHEMBL21591916 0.98 CASP6 (0.61) CASP6ALDH1A1CASP1MAPTHTT
SCHEMBL3063225 0.92 CASP6 (0.58) CASP6ALDH1A1CASP1MAPTHTT
SCHEMBL8404544 0.84 ALDH1A1 (0.61) CASP6ALDH1A1CASP1MAPTHTT
SCHEMBL9374695 0.84 CASP6 (0.71) CASP6ALDH1A1CASP1MAPTHTT
SCHEMBL31186675 0.84 ALDH1A1 (0.61) CASP6ALDH1A1CASP1MAPTHTT
Hydrochloric Acid SCHEMBL30075676 0.82 CASP6 (0.69) CASP6ALDH1A1CASP1MAPTHTT
Hydrochloric Acid SCHEMBL28888961 0.82 CASP6 (0.69) CASP6ALDH1A1CASP1MAPTHTT
SCHEMBL30456422 0.81 ALDH1A1 (0.53) CASP6ALDH1A1CASP1MAPTHTT
SCHEMBL3587363 0.81 ALDH1A1 (0.53) CASP6ALDH1A1CASP1MAPTHTT
SCHEMBL20278401 0.77 ALDH1A1 (0.53) CASP6ALDH1A1CASP1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372865-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-02-12 US claimed
US-12552793-B2 Purine derivative and medical use thereof KANGBAIDA (SICHUAN) BIOTECHNOLOGY CO., LTD. (CN) 2026-02-17 US disclosed
US-20250263753-A1 BRIDGED CYCLE-BASED INHIBITORS OF DNA-DEPENDENT PROTEIN KINASE AND COMPOSITIONS AND APPLICATION IN GENE EDITING JUNO THERAPEUTICS INC (US) 2025-08-21 US disclosed
US-20250241912-A1 USE OF BRIDGED CYCLE-BASED INHIBITORS OF DNA-DEPENDENT PROTEIN KINASE IN COMBINATION OF DNA POLYMERASE THETA INHIBITOR AND COMPOSITIONS AND APPLICATION IN GENE EDITING JUNO THERAPEUTICS INC (US) 2025-07-31 US disclosed
WO-2025049253-A1 BRIDGED CYCLE‑BASED INHIBITORS OF DNA‑DEPENDENT PROTEIN KINASE AND COMPOSITIONS AND APPLICATION IN GENE EDITING JUNO THERAPEUTICS, INC. (US) 2025-03-06 WO disclosed
US-20240150355-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2024-05-09 US disclosed
CN-112236431-B Purinone Compounds and Their Use in the Treatment of Cancer 阿斯利康(瑞典)有限公司 2024-02-13 CN disclosed
US-11884671-B2 Purinone compounds and their use in treating cancer ASTRAZENECA AB (SE) 2024-01-30 US disclosed
US-11858915-B2 Polo like kinase 4 inhibitors ORIC PHARMACEUTICALS, INC. (US) 2024-01-02 US disclosed
CN-116406272-A DNA-PK selective inhibitor and preparation method and application thereof 首药控股(北京)股份有限公司 2023-07-07 CN disclosed
US-20210171525-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-06-10 US disclosed
US-20210171525-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-06-10 US disclosed
EP-3807278-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER Astrazeneca AB (SE) 2021-04-21 EP disclosed
CN-112236431-A Purinone compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2021-01-15 CN disclosed
WO-2019238929-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2019-12-19 WO disclosed
WO-2019238929-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2019-12-19 WO disclosed
EP-2393781-B1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-8372865-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-02-12 US disclosed
US-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US disclosed
US-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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 (9 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-12552793-B2 Purine derivative and medical use thereof PNP, CYP2D6, ADORA1 CASP6 552/4885ALDH1A1 755/4885CASP1 964/4885
US-20250263753-A1 BRIDGED CYCLE-BASED INHIBITORS OF DNA-DEPENDENT PROTEIN KINASE AND COMPOSITIONS AND APPLICATION IN GENE EDITING DTYMK, DCK, PHKG1 CASP6 1762/4885ALDH1A1 2749/4885CASP1 1760/4885
US-20210171525-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER RECQL, PRPS1, PURB CASP6 2624/4885ALDH1A1 120/4885CASP1 2643/4885
US-20240150355-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER RECQL, PRPS1, PURB CASP6 2583/4885ALDH1A1 185/4885CASP1 2755/4885
US-11858915-B2 Polo like kinase 4 inhibitors PLK4, PLK2, PLK3 CASP6 2963/4885ALDH1A1 2211/4885CASP1 3608/4885
US-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS P2RY1, P2RX1, P2RX3 CASP6 2537/4885ALDH1A1 1399/4885CASP1 896/4885
US-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX3, P2RX1 CASP6 2217/4885ALDH1A1 1115/4885CASP1 774/4885
US-11884671-B2 Purinone compounds and their use in treating cancer RECQL, PRPS1, PURB CASP6 2624/4885ALDH1A1 120/4885CASP1 2643/4885
US-20250241912-A1 USE OF BRIDGED CYCLE-BASED INHIBITORS OF DNA-DEPENDENT PROTEIN KINASE IN COMBINATION OF DNA POLYMERASE THETA INHIBITOR AND COMPOSITIONS AND APPLICATION IN GENE EDITING POLQ, POLK, POLG CASP6 3706/4885ALDH1A1 4034/4885CASP1 3987/4885

“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.