SCHEMBL21977339

SCHEMBL21977339

Nc1nc(N)c2ncn(Cc3ccc(F)cc3)c2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.57
CCNB1 P14635 1/20 0.57
CCNE1 P24864 1/20 0.57
CDK2 P24941 1/20 0.57
PDE4A P27815 1/20 0.55
PDE4B Q07343 1/20 0.55
PDE4C Q08493 1/20 0.55
PDE4D Q08499 1/20 0.55
HDAC6 Q9UBN7 5/20 0.51
HDAC1 Q13547 5/20 0.51
HDAC4 P56524 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HIF1A Q16665 1/20 0.51
PHLPP2 Q6ZVD8 1/20 0.51
ADORA2A P29274 6/20 0.49
PI4KA P42356 1/20 0.49

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
SCHEMBL7204689 0.87 PDE8A (0.60) CDK1PDE4APDE4BPDE4CPDE4D
SCHEMBL30532617 0.87 HDAC6 (0.66) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1
SCHEMBL21977403 0.87 HDAC6 (0.66) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1
SCHEMBL1640041 0.85 PDE4A (0.69) CDK1CCNB1CCNE1CDK2PDE4A
SCHEMBL23977339 0.82 CDK1 (0.54) CDK1CCNB1CCNE1CDK2PDE4A
SCHEMBL6659204 0.81 ADORA2A (0.74) ALDH1A1ADORA2API4KAPI4K2BPI4K2A
SCHEMBL7206653 0.79 TLR7 (0.51) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL9738975 0.79 ADORA2A (0.65) CDK1CCNB1CCNE1CDK2PDE4A
SCHEMBL15940663 0.78 CDK1 (0.49) CDK1CCNB1CCNE1CDK2PDE4A
SCHEMBL15941427 0.78 PDE4A (0.51) CDK1CCNB1CCNE1CDK2PDE4A

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-11986480-B2 Heterocyclic compound TOHOKU UNIVERSITY (JP) 2024-05-21 US disclosed
US-20200163970-A1 HETEROCYCLIC COMPOUND TOHOKU UNIVERSITY (JP) 2020-05-28 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-20200163970-A1 HETEROCYCLIC COMPOUND SQSTM1, BECN1, ATG7 CDK1 1828/4885CCNB1 3218/4885CCNE1 3678/4885
US-11986480-B2 Heterocyclic compound SQSTM1, BECN1, ATG7 CDK1 1828/4885CCNB1 3218/4885CCNE1 3678/4885

“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.