SCHEMBL2184114

SCHEMBL2184114

CN(C)CCCNCc1nnc2c(n1)c(=O)n(C)c(=O)n2C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.36
CTSK P43235 1/20 0.35
ATM Q13315 7/20 0.35
PIK3CA P42336 6/20 0.35
CYP2D6 P10635 1/20 0.33
ATR Q13535 2/20 0.32
PRKDC P78527 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TERT O14746 1/20 0.32
MTOR P42345 4/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
POLB P06746 1/20 0.31
KCNH2 Q12809 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
TNF P01375 1/20 0.31
LITAF Q99732 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
SCHEMBL2181572 0.95 ADORA2A (0.36) ADORA2ACTSKATMPIK3CACYP2D6
SCHEMBL2182509 0.90 ADORA2A (0.34) ADORA2ASMN1; SMN2JAK2JAK1JAK3
SCHEMBL2182884 0.89 ADORA2A (0.38) ADORA2APIK3CAPRKDCSMN1; SMN2JAK2
SCHEMBL2182538 0.88 ADORA2A (0.36) ADORA2AJAK2JAK1JAK3TNF
SCHEMBL2181516 0.88 ADORA2A (0.37) ADORA2APIK3CAPRKDCSMN1; SMN2JAK2
SCHEMBL2181754 0.88 ADORA2A (0.37) ADORA2AATMPIK3CAATRSMN1; SMN2
SCHEMBL2184332 0.87 ADORA2A (0.35) ADORA2ASMN1; SMN2JAK2JAK1JAK3
SCHEMBL2182066 0.87 ADORA2A (0.36) ADORA2APIK3CAPRKDCJAK2JAK1
SCHEMBL2181108 0.86 ADORA2A (0.38) ADORA2AJAK2JAK1JAK3TNF
SCHEMBL2182996 0.85 MTOR (0.36) ADORA2ACTSKATMPIK3CAMTOR

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 3 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
EP-4129282-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2023-02-08 EP 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 2201/4885CTSK 2064/4885ATM 3183/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR ADORA2A 836/4885CTSK 3523/4885ATM 1302/4885

“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.