SCHEMBL846742

SCHEMBL846742

CC(C(N)=O)N1CN([C@@H]2O[C@H](CO)C(O)C2O)c2ncnc(N)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA8 P11142 3/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
CCNA1 P78396 1/20 0.46
HIF1A Q16665 3/20 0.44
MAPK1 P28482 3/20 0.44
STAT6 P42226 2/20 0.44
DOT1L Q8TEK3 2/20 0.44
DPP4 P27487 1/20 0.44
MEN1 O00255 1/20 0.44
SLC28A1 O00337 1/20 0.44
MAP3K7 O43318 1/20 0.44
SLC28A2 O43868 1/20 0.44
GAPDH P04406 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44

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
SCHEMBL2197504 0.83 CDK1 (0.48) HSPA8CDK1CCNB1CCNA2CDK2
SCHEMBL7164519 0.82 ADORA3 (0.52) HSPA8HIF1ADOT1LSLC28A2ADORA3
SCHEMBL1976100 0.82 HSPA8 (0.46) HSPA8CDK1CCNB1CCNA2CDK2
SCHEMBL830795 0.82 MAPK1 (0.50) HSPA8CDK1CDK2HIF1AMAPK1
SCHEMBL830796 0.82 MAPK1 (0.50) HSPA8CDK1CDK2HIF1AMAPK1
SCHEMBL7622641 0.80 GAPDH (0.46) HSPA8HIF1AMAPK1STAT6DOT1L
SCHEMBL19859851 0.80 EHMT1 (0.43) HSPA8HIF1AMAPK1STAT6DOT1L
SCHEMBL1101261 0.80 HSPA8 (0.46) HSPA8CDK1CCNB1CCNA2CDK2
SCHEMBL724943 0.79 MAPK1 (0.50) HSPA8CDK1CDK2HIF1AMAPK1
SCHEMBL3841527 0.79 DOT1L (0.50) HSPA8CDK1CDK2HIF1AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230053028-A1 ENGINEERED CELLS FOR THERAPY EDITAS MEDICINE, INC. 2023-02-16 US disclosed
WO-2021138512-A1 COMBINATION THERAPY COMPRISING A2A/A2B AND PD-1/PD-L1 INHIBITORS INCYTE CORPORATION (US) 2021-07-08 WO disclosed
US-20210205311-A1 Combination Therapy Comprising A2A/A2B and PD-1/PD-L1 Inhibitors INCYTE CORPORATION 2021-07-08 US disclosed
US-20200247798-A1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS KYOWA KIRIN CO LTD (JP) 2020-08-06 US disclosed
US-10407440-B2 Therapeutic agent for motor disorders KYOWA HAKKO KIRIN CO., LTD. (JP) 2019-09-10 US disclosed
EP-3378860-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS Kyowa Hakko Kirin Co., Ltd. (JP) 2018-09-26 EP disclosed
EP-2433938-B1 THERAPEUTIC AGENT FOR MOTOR DISORDERS KYOWA HAKKO KIRIN CO LTD (JP) 2018-04-18 EP disclosed
US-20170275296-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS KYOWA KIRIN CO., LTD. (JP) 2017-09-28 US disclosed
US-9714257-B2 Therapeutic agent for motor disorders KYOWA HAKKO KIRIN CO., LTD. (JP) 2017-07-25 US disclosed
EP-2474544-B1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS KYOWA HAKKO KIRIN CO LTD (JP) 2017-07-12 EP disclosed
EP-0457773-A4 N?6 -SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS 1993-03-10 EP disclosed
US-5189027-A Hypotensive agent, vasoconstriction YAMASA SHOYU KABUSHIKI KAISHA (JP) 1993-02-23 US disclosed
EP-0488336-A1 2-Substituted adenosine derivatives and pharmaceutical compositions for circulatory diseases Yamasa Shoyu Kabushiki Kaisha (JP) 1992-06-03 EP disclosed
US-5117830-A Dilating the vascular system with adenosine; labeling; supplying a adenosine recetor antagonist WHITBY RESEARCH, INC. (US) 1992-06-02 US disclosed
EP-0457773-A1 N?6 -SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS WHITBY RESEARCH, Inc. (US) 1991-11-27 EP disclosed
US-5066655-A Inhibiting adenylate cyclase WHITBY RESEARCH, INC. (US) 1991-11-19 US disclosed
EP-0383759-A1 N6 SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS Whitby Research Incorporated (US) 1990-08-29 EP disclosed
WO-1990009178-A1 N6-SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS WHITBY RESEARCH, INC. (US) 1990-08-23 WO disclosed
WO-1988008303-A1 N6-SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS NELSON RESEARCH AND DEVELOPMENT COMPANY (US) 1988-11-03 WO disclosed
US-4705758-A Adenosine receptor assay and kit WARNER-LAMBERT COMPANY (US) 1987-11-10 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 (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-10407440-B2 Therapeutic agent for motor disorders DDT, COMT, SLC6A3 HSPA8 2736/4885CDK1 798/4885CCNB1 991/4885
US-20170275296-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS DDT, COMT, SLC6A3 HSPA8 2736/4885CDK1 798/4885CCNB1 991/4885
US-20230053028-A1 ENGINEERED CELLS FOR THERAPY ACVR1, ACVRL1, ACVR2A HSPA8 1742/4885CDK1 4224/4885CCNB1 4101/4885
US-20200247798-A1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS TAAR1, SLC6A1, GABBR1 HSPA8 1518/4885CDK1 1223/4885CCNB1 1601/4885
US-20210205311-A1 Combination Therapy Comprising A2A/A2B and PD-1/PD-L1 Inhibitors ADORA2A, ADORA2B, ADORA1 HSPA8 2680/4885CDK1 391/4885CCNB1 265/4885

“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.