SCHEMBL2184442

SCHEMBL2184442

CNCCCNc1nnc2c(n1)c(=O)n(C)c(=O)n2C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.38
PRKDC P78527 2/20 0.34
CSF1R P07333 1/20 0.34
TTK P33981 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
CCND1 P24385 2/20 0.32
CCNE1 P24864 2/20 0.32
CDK2 P24941 2/20 0.32
CDK6 Q00534 2/20 0.32
TNF P01375 1/20 0.32
LITAF Q99732 1/20 0.32
PIK3CA P42336 3/20 0.32
MTOR P42345 3/20 0.32
ATM Q13315 3/20 0.32
ATR Q13535 3/20 0.32
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
ADORA2B P29275 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
SCHEMBL2182366 0.93 ADORA2A (0.39) ADORA2APRKDCCSF1RTTKJAK2
SCHEMBL2184389 0.89 ADORA2A (0.38) ADORA2APRKDCCSF1RTTKJAK2
SCHEMBL2183096 0.89 ADORA2A (0.36) ADORA2APRKDCCSF1RTTKJAK2
SCHEMBL2181649 0.87 KDM1A (0.37) ADORA2APRKDCCSF1RTTKPIK3CA
SCHEMBL2180041 0.87 CYP2D6 (0.36) ADORA2APRKDCCSF1RTTKJAK2
SCHEMBL2182414 0.87 ADORA2A (0.39) ADORA2APRKDCCSF1RTTKJAK2
SCHEMBL2182971 0.86 POLB (0.39) ADORA2APIK3CAMTORATM
SCHEMBL2184891 0.85 SRC (0.41) ADORA2A
SCHEMBL2182242 0.85 FGFR1 (0.37) ADORA2APRKDCCSF1RTTKCCND1
SCHEMBL2180532 0.85 CCND1 (0.35) ADORA2APRKDCCSF1RTTKCCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2023-06-15 US disclosed
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 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-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF TCF4, TCF7L2, CTNNB1 ADORA2A 2201/4885PRKDC 3242/4885CSF1R 4552/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR ADORA2A 836/4885PRKDC 1601/4885CSF1R 2333/4885

“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.