SCHEMBL16714580

SCHEMBL16714580

CC(C)n1cnc2nc(Cl)nc(Cl)c21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.45
ADORA1 P30542 2/20 0.45
CDK2 P24941 10/20 0.37
CDK5 Q00535 10/20 0.37
CDK5R1 Q15078 10/20 0.37
CCNA2 P20248 9/20 0.37
CCNA1 P78396 9/20 0.37
DYRK1A Q13627 8/20 0.37
CDK1 P06493 2/20 0.35
CCNB1 P14635 1/20 0.33
CCNE1 P24864 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
ADORA2B P29275 1/20 0.31
PI4KA P42356 1/20 0.31
PI4K2B Q8TCG2 1/20 0.31
PI4K2A Q9BTU6 1/20 0.31
PI4KB Q9UBF8 1/20 0.31

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
SCHEMBL31380754 1.00 ADORA2A (0.45) ADORA2AADORA1CDK2CDK5CDK5R1
SCHEMBL31380760 0.80 ADORA2A (0.41) ADORA2AADORA1CDK2CDK5CDK5R1
SCHEMBL15922243 0.80 SIGMAR1 (0.36)
SCHEMBL17314968 0.77
SCHEMBL15931260 0.77
SCHEMBL17314967 0.77
SCHEMBL20097141 0.76 ADORA2A (0.64) ADORA2AADORA1CDK2CDK5CDK5R1
SCHEMBL29661424 0.76 CDK1 (0.41) ADORA2AADORA1CDK1POLBADORA2B
SCHEMBL183091 0.76 CDK1 (0.41) ADORA2AADORA1CDK1POLBADORA2B
SCHEMBL24476415 0.73 GAA (0.38)

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220168309-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF DISEASE INVOX PHARMA LIMITED (GB) 2022-06-02 US disclosed
US-20220168309-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF DISEASE INVOX PHARMA LIMITED (GB) 2022-06-02 US disclosed
EP-3934652-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF DISEASE F-Star Therapeutics, Inc. (GB) 2022-01-12 EP disclosed
CN-113645977-A Compounds, compositions and methods for treatment of disease F-星治疗公司 2021-11-12 CN disclosed
EP-3071570-B1 2,6-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS PFIZER (US) 2018-06-20 EP disclosed
CN-105916853-A 2,6-substituted purine derivatives and their use in the treatment of proliferative disorders 辉瑞公司 2016-08-31 CN disclosed
US-9290496-B2 Purine derivatives PFIZER INC. (US) 2016-03-22 US disclosed
US-20150141402-A1 PURINE DERIVATIVES PFIZER INC. (US) 2015-05-21 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 (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-20150141402-A1 PURINE DERIVATIVES ADORA3, ADORA1, HPRT1 ADORA2A 4/4885ADORA1 2/4885CDK2 279/4885
US-20220168309-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF DISEASE STING1, CGAS, MAVS ADORA2A 436/4885ADORA1 946/4885CDK2 4509/4885

“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.