SCHEMBL13543788

SCHEMBL13543788

CN1CCCC(CNC(=O)c2n[nH]cc2NC(=O)c2c(F)cccc2F)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 3/20 0.48
▸ CDK2 P24941 3/20 0.48
▸ KCNH2 Q12809 2/20 0.43
▸ IRAK4 Q9NWZ3 2/20 0.43
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ CDK1 P06493 2/20 0.40
▸ CCNB1 P14635 2/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ LYN P07948 1/20 0.40
▸ GRK2 P25098 1/20 0.40
▸ CLK1 P49759 1/20 0.40
▸ GSK3A P49840 1/20 0.40
▸ MAPK7 Q13164 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ DYRK2 Q92630 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ BCL3 P20749 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39

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
SCHEMBL8226199 0.90 CCNA2 (0.53) CCNA2CDK2KCNH2ADORA2ACDK1
SCHEMBL8261337 0.87 CCNA2 (0.57) CCNA2CDK2KCNH2ADORA2AADORA1
SCHEMBL8217958 0.86 ACKR3 (0.53) CCNA2CDK2KMT2A
SCHEMBL8219161 0.86 CCNA2 (0.63) CCNA2CDK2KCNH2ADORA2AADORA1
SCHEMBL8263069 0.85 CDK2 (0.48) CCNA2CDK2CDK1CCNB1DYRK1A
SCHEMBL8219744 0.83 CDK2 (0.50) CCNA2CDK2ADORA2AADORA1CDK1
SCHEMBL8262274 0.83 CDK2 (0.50) CCNA2CDK2ADORA2AADORA1CDK1
SCHEMBL8219257 0.82 CDK2 (0.56) CCNA2CDK2ADORA2AADORA1CDK1
SCHEMBL8228035 0.82 CCNA2 (0.55) CCNA2CDK2KCNH2ADORA2AADORA1
SCHEMBL8228006 0.80 CDK2 (0.49) CCNA2CDK2KCNH2ADORA2AADORA1

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-20100004243-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-07 — — US disclosed
US-20100004243-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-07 — — US disclosed
WO-2008007123-A2 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2008-01-17 — — WO 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 (1 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-20100004243-A1 PHARMACEUTICAL COMPOUNDS CDK1, CDK2, CDK4 CCNA2 28/4885CDK2 2/4885KCNH2 1761/4885

“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.

Send feedback