SCHEMBL4234253

SCHEMBL4234253

Cc1nc2n(n1)CCNC2

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 3/20 0.48
CD274 Q9NZQ7 3/20 0.48
SOD3 P08294 1/20 0.30

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
SCHEMBL4237524 0.77 PDCD1 (0.43) PDCD1CD274
SCHEMBL15933475 0.76 PDCD1 (0.41) PDCD1CD274
SCHEMBL2651997 0.76 PDCD1 (0.41) PDCD1CD274
SCHEMBL20792880 0.76 PDCD1 (0.41) PDCD1CD274
SCHEMBL15933523 0.76 PDCD1 (0.42) PDCD1CD274
SCHEMBL20319383 0.76 PDCD1 (0.42) PDCD1CD274
Hydrochloric Acid SCHEMBL20141433 0.74 PDCD1 (0.40) PDCD1CD274
SCHEMBL15933522 0.73 PDCD1 (0.59) PDCD1CD274
SCHEMBL24687617 0.72 PDCD1 (0.42) PDCD1CD274
SCHEMBL1620214 0.72 PDCD1 (0.39) PDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220267320-A1 4-(IMIDAZO[1,2-A]PYRIDIN-3-YL)-PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2022-08-25 US claimed
US-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2024-07-04 US disclosed
EP-4041714-B1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2023-12-13 EP disclosed
US-11730720-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-22 US disclosed
US-11730720-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-22 US disclosed
EP-3555070-B1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF EPIZYME INC (US) 2023-08-09 EP disclosed
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-13 US disclosed
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-13 US disclosed
EP-3532479-B1 AMIDE COMPOUNDS AS KINASE INHIBITORS TRANSLATIONAL DRUG DEV LLC (US) 2023-06-07 EP disclosed
US-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-05-11 US disclosed
WO-2018119263-A1 HETEROCYCLIC COMPOUNDS DERIVATIVES AS PD-L1 INTERNALIZATION INDUCERS INCYTE CORPORATION (US) 2018-06-28 WO disclosed
WO-2016119706-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE 南京明德新药研发股份有限公司 2016-08-04 WO disclosed
US-8754100-B2 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-17 US disclosed
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors EISAI R&D MANAGEMENT CO., LTD., (JP) 2012-03-01 US disclosed
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors EISAI R&D MANAGEMENT CO., LTD., (JP) 2012-03-01 US disclosed
WO-2010098487-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 WO disclosed
WO-2009090055-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-07-23 WO disclosed
US-20090054440-A1 Quinoline derivatives as neurokinin receptor antagonists CARLING WILLIAM ROBERT 2009-02-26 US disclosed
US-20090054440-A1 Quinoline derivatives as neurokinin receptor antagonists CARLING WILLIAM ROBERT 2009-02-26 US disclosed
US-20090054440-A1 Quinoline derivatives as neurokinin receptor antagonists CARLING WILLIAM ROBERT 2009-02-26 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-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS ENTPD5, ENTPD1, SLC29A1 PDCD1 507/4885CD274 437/4885SOD3 4443/4885
US-20220267320-A1 4-(IMIDAZO[1,2-A]PYRIDIN-3-YL)-PYRIMIDINE DERIVATIVES NCOA3, NCOR1, NCOA4 PDCD1 3909/4885CD274 3871/4885SOD3 1225/4885
US-20090054440-A1 Quinoline derivatives as neurokinin receptor antagonists TACR2, TACR3, NPY2R PDCD1 2979/4885CD274 2451/4885SOD3 2094/4885
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors BACE1, APP, PSEN1 PDCD1 3474/4885CD274 4336/4885SOD3 2724/4885
US-11730720-B2 ALK5 inhibitors ALK, ACVR1, ACVRL1 PDCD1 2331/4885CD274 2512/4885SOD3 4309/4885
US-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME ADORA2A, ADORA1, ADORA2B PDCD1 3819/4885CD274 2783/4885SOD3 4865/4885
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A PDCD1 3348/4885CD274 3380/4885SOD3 2979/4885

“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.