SCHEMBL336113

SCHEMBL336113

Clc1nc(N2CCOCC2)c2nc[nH]c2n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 5/20 0.44
PDPK1 O15530 1/20 0.44
MAPK1 P28482 1/20 0.44
PAK1 Q13153 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
JAK3 P52333 1/20 0.40
PIK3CA P42336 6/20 0.40
LRRK2 Q5S007 2/20 0.40
PIK3R1 P27986 1/20 0.40
SRC P12931 1/20 0.39
PIK3CG P48736 5/20 0.39
MTOR P42345 4/20 0.39
POLB P06746 1/20 0.38
STK4 Q13043 1/20 0.38
STK3 Q13188 1/20 0.38
ADORA2A P29274 1/20 0.38

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
SCHEMBL30253959 1.00 CHEK1 (0.44) CHEK1PDPK1MAPK1PAK1SMN1; SMN2
SCHEMBL14183741 0.86 HTT (0.41) MAPK1SMN1; SMN2JAK3ADORA2A
SCHEMBL14183739 0.85 ADORA3 (0.42) MAPK1SMN1; SMN2JAK3ADORA2A
SCHEMBL14183755 0.84 POLB (0.38) MAPK1SMN1; SMN2PIK3CALRRK2POLB
SCHEMBL19414424 0.82 CHEK1 (0.44) CHEK1PDPK1MAPK1PAK1JAK3
SCHEMBL14183753 0.82 SMN1; SMN2 (0.49) SMN1; SMN2
SCHEMBL14071958 0.82 MAP2K7 (0.45) CHEK1PDPK1MAPK1PAK1SMN1; SMN2
SCHEMBL8826341 0.82 IKBKB (0.52) CHEK1PDPK1MAPK1PAK1JAK3
SCHEMBL14183782 0.82 MAPT (0.52) MAPK1SMN1; SMN2
SCHEMBL14183761 0.80 KDM4E (0.38) MAPK1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112920199-A Piperazinone substituent or derivative thereof, and preparation method, application and pharmaceutical composition thereof 四川大学 2021-06-08 CN claimed
US-20250388599-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2025-12-25 US disclosed
US-20250353851-A1 PURINES AND METHODS OF THEIR USE KINETA INC (US) 2025-11-20 US disclosed
EP-4444312-A2 PURINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2024-10-16 EP disclosed
US-20240150358-A1 PURINES AND METHODS OF THEIR USE Kineta, Inc. 2024-05-09 US disclosed
US-20230312577-A1 DUAL KINASE-BROMODOMAIN INHIBITORS MONASH UNIVERSITY (AU) 2023-10-05 US disclosed
US-20230312577-A1 DUAL KINASE-BROMODOMAIN INHIBITORS MONASH UNIVERSITY (AU) 2023-10-05 US disclosed
US-20230312577-A1 DUAL KINASE-BROMODOMAIN INHIBITORS MONASH UNIVERSITY (AU) 2023-10-05 US disclosed
WO-2023107552-A2 PURINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 WO disclosed
WO-2023107552-A2 PURINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 WO disclosed
US-20070027151-A1 Heterocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2007-02-01 US disclosed
US-20070027151-A1 Heterocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2007-02-01 US disclosed
US-20070027151-A1 Heterocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2007-02-01 US disclosed
US-7122665-B2 Heterocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-17 US disclosed
EP-1556140-A4 NOVEL COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2006-04-19 EP disclosed
EP-1626725-A2 HETEROCYCLIC COMPOUNDS FOR PREVENTING AND TREATING DISORDERS ASSOCIATED WITH EXCESSIVE BONE LOSS Synta Pharmaceuticals Corporation (US) 2006-02-22 EP disclosed
EP-1556140-A2 NOVEL COMPOUNDS Synta Pharmaceuticals Corporation (US) 2005-07-27 EP disclosed
WO-2005000404-A2 HETEROCYCLIC COMPOUNDS FOR PREVENTING AND TREATING DISORDERS ASSOCIATED WITH EXCESSIVE BONE LOSS SYNTA PHARMACEUTICALS, CORP. (US) 2005-01-06 WO disclosed
US-20040198725-A1 A bi-heterocyclic compound e.g 3-methoxyphenyl)-{6-Morpholin-4-yl-2-[2-(pyridin-2-yloxy)-ethoxy]-9H-purin-8-yl}-amine or other derivatives useful for treating an interleukin-12 overproduction-related disorder such as rheumatoid arthritis, sepsis, Crohn's disease, multiple sclerosis, psoriasis or diabetes SYNTA PHARMACEUTICALS CORP. 2004-10-07 US disclosed
WO-2004035740-A2 AROMATIC BICYCLIC HETEROCYLES TO MODULATE 1L - 12 PRODUCTION SYNTA PHARMACEUTICALS CORP. (US) 2004-04-29 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 (6 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-20240150358-A1 PURINES AND METHODS OF THEIR USE PNP, NUDT1, HPRT1 CHEK1 2974/4885PDPK1 1855/4885MAPK1 3420/4885
US-20040198725-A1 A bi-heterocyclic compound e.g 3-methoxyphenyl)-{6-Morpholin-4-yl-2-[2-(pyridin-2-yloxy)-ethoxy]-9H-purin-8-yl}-amine or other derivatives useful for treating an interleukin-12 overproduction-related disorder such as rheumatoid arthritis, sepsis, Crohn's disease, multiple sclerosis, psoriasis or diabetes MSR1, NGFR, NR0B1 CHEK1 3492/4885PDPK1 4841/4885MAPK1 2421/4885
US-20070027151-A1 Heterocyclic compounds NRAS, OXER1, HCRTR2 CHEK1 3484/4885PDPK1 4859/4885MAPK1 1651/4885
US-20230312577-A1 DUAL KINASE-BROMODOMAIN INHIBITORS MAP2K2, BRPF3, BRDT CHEK1 50/4885PDPK1 138/4885MAPK1 383/4885
US-20250353851-A1 PURINES AND METHODS OF THEIR USE TDP1, TDP2, PIKFYVE CHEK1 697/4885PDPK1 37/4885MAPK1 2600/4885
US-20250388599-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3C2B, PIK3C2A, PIK3R1 CHEK1 240/4885PDPK1 73/4885MAPK1 41/4885

“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.