SCHEMBL130453

SCHEMBL130453

Cn1cnc2c(Cl)ncnc21

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.60
ADORA2A P29274 1/20 0.60
YTHDC1 Q96MU7 2/20 0.56
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
THPO P40225 1/20 0.46
PMP22 Q01453 1/20 0.46
CDK1 P06493 2/20 0.46
FDPS P14324 1/20 0.44
P2RX7 Q99572 2/20 0.42
FGFR1 P11362 2/20 0.40
FGFR4 P22455 2/20 0.40
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL30572667 1.00 ADORA1 (0.60) ADORA1ADORA2AYTHDC1CYP1A2CYP3A4
SCHEMBL441875 0.77 ADORA1 (0.62) ADORA1ADORA2AYTHDC1CYP1A2CYP3A4
SCHEMBL6670287 0.76 FDPS (0.42) ADORA1ADORA2AYTHDC1FDPSP2RX7
SCHEMBL23436498 0.76 ADORA2A (0.66) ADORA1ADORA2ACYP1A2CYP2D6FDPS
SCHEMBL106573 0.75 ADORA2A (1.00) ADORA1ADORA2AYTHDC1CDK1
SCHEMBL10910542 0.75 FDPS (0.47) ADORA1ADORA2AFDPSP2RX7FGFR1
SCHEMBL5801450 0.75 ADORA1 (0.60) ADORA1ADORA2AYTHDC1CYP1A2CYP3A4
SCHEMBL1868819 0.75 FDPS (0.44) ADORA1ADORA2AFDPSP2RX7FGFR1
SCHEMBL3857168 0.75 ADORA1 (0.60) ADORA1ADORA2AYTHDC1CYP1A2CYP3A4
SCHEMBL18721931 0.75 ADORA1 (0.60) ADORA1ADORA2AYTHDC1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115251068-B Growth regulating composition special for tomatoes 凯盛浩丰农业集团有限公司 2023-11-14 CN claimed
CN-115251068-A Special growth regulating composition for tomatoes 凯盛浩丰农业有限公司 2022-11-01 CN claimed
CN-118632843-A Pyridine derivative and application thereof 四川汇宇制药股份有限公司 2024-09-10 CN disclosed
WO-2024049929-A2 PANNEXIN-1 MODULATORS AND METHODS OF TREATING DISORDERS IN WHICH PANNEXIN-1 IS IMPLICATED PANNEX THERAPEUTICS INC. (US) 2024-03-07 WO disclosed
US-11858907-B2 Kinase modulators RHIZEN PHARMACEUTICALS AG (CH) 2024-01-02 US disclosed
CN-117279911-A Heterocyclic compound and application thereof 深圳微芯生物科技股份有限公司 2023-12-22 CN disclosed
EP-3728283-B1 3'3' CYCLIC DINUCLEOTIDES WITH PHOSPHONATE BOND ACTIVATING THE STING ADAPTOR PROTEIN INST OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR V V I (CZ) 2023-11-22 EP disclosed
CN-115251068-B Growth regulating composition special for tomatoes 凯盛浩丰农业集团有限公司 2023-11-14 CN disclosed
US-20230303613-A1 3′3′ CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR, V.V.I. (CZ) 2023-09-28 US disclosed
US-20230303613-A1 3′3′ CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR, V.V.I. (CZ) 2023-09-28 US disclosed
WO-2023165581-A1 PYRIDINE DERIVATIVE AND USE THEREOF 四川汇宇制药股份有限公司 2023-09-07 WO disclosed
EP-0778836-A4 SUBSTITUTED 9-ALKYLADENINES DISCOVERY THERAPEUTICS INC (US) 1998-02-04 EP disclosed
US-5670501-A USEFUL AS DIURETICS, TREATING RENAL DISORDERS, RESTORING CARDIAC FUNCTIONS DISCOVERY THERAPEUTICS, INC. (US) 1997-09-23 US disclosed
EP-0778836-A1 SUBSTITUTED 9-ALKYLADENINES Discovery Therapeutics, Inc. (US) 1997-06-18 EP disclosed
US-5571819-A Imidazopyridines as muscarinic agents WYETH 1996-11-05 US disclosed
WO-1996006845-A1 SUBSTITUTED 9-ALKYLADENINES DISCOVERY THERAPEUTICS, INC. (US) 1996-03-07 WO disclosed
EP-0300726-B1 PIPERAZINYL DERIVATES OF PURINES AND ISOSTERES THEREOF AS HYPOGLYCEMIC AGENTS MERCK & CO. INC. (US) 1993-09-22 EP disclosed
WO-1993018035-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1993-09-16 WO disclosed
US-5057517-A Piperazinyl derivatives of purines and isosteres thereof as hypoglycemic agents MERCK & CO., INC. (US) 1991-10-15 US disclosed
EP-0300726-A1 Piperazinyl derivates of purines and isosteres thereof as hypoglycemic agents MERCK & CO. INC. (US) 1989-01-25 EP 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 (2 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-11858907-B2 Kinase modulators RPS6KA1, RPS6KA2, PRKAR2A ADORA1 1608/4885ADORA2A 1129/4885YTHDC1 4656/4885
US-20230303613-A1 3′3′ CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE STING1, CGAS, IRF3 ADORA1 217/4885ADORA2A 237/4885YTHDC1 3243/4885

“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.