SCHEMBL22230381

SCHEMBL22230381

NC(=O)c1nccnc1CN1CCNCC1=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.38
ENPP2 Q13822 1/20 0.32
CDK4 P11802 1/20 0.31
CDK6 Q00534 1/20 0.31
SYK P43405 1/20 0.31
KDM5C P41229 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
IKBKE Q14164 1/20 0.30
TBK1 Q9UHD2 1/20 0.30
PRKD1 Q15139 1/20 0.30
PRKD2 Q9BZL6 1/20 0.30
GPR4 P46093 1/20 0.30
KCNH2 Q12809 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
SCHEMBL30282988 0.72 KDM4E (0.37) F10CDK4CDK6
SCHEMBL1483515 0.70 TSHR (0.55) F10
SCHEMBL6068626 0.68 DDB1 (0.56)
Hydrochloric Acid SCHEMBL8150892 0.68 ALOX15 (0.50) F10CDK4CDK6
SCHEMBL29950392 0.67 KDM4E (0.43) SYKTBK1
SCHEMBL27583221 0.67 KDM4E (0.43) SYKTBK1
SCHEMBL18291271 0.67 CDK4 (0.41) CDK4CDK6GPR4KCNH2
SCHEMBL1654350 0.67 F10 (0.46) F10
SCHEMBL20129619 0.66 ALDH1A1 (0.42)
SCHEMBL4060441 0.66 HTR2C (0.43) PIM1PIM3

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-11306071-B2 Heterocyclic compounds as adenosine antagonists NUVATION BIO INC. (US) 2022-04-19 US disclosed
US-20200231570-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2020-07-23 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-11306071-B2 Heterocyclic compounds as adenosine antagonists ADORA2A, ADORA3, ADORA1 F10 4455/4885ENPP2 77/4885CDK4 325/4885
US-20200231570-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 F10 4427/4885ENPP2 76/4885CDK4 268/4885

“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.