Sugi Predict

Sugi Predict / Compounds / SCHEMBL12466017

SCHEMBL12466017

SCHEMBL12466017

COCCN[C@H]1CC[C@H](Nc2cc(-c3ccc(F)c(NCC4(C)CCOCC4)n3)c(Cl)cn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 18/20 0.58
▸ CCNK O75909 17/20 0.58
▸ CCNT1 O60563 5/20 0.58
▸ CDK14 O94921 2/20 0.58
▸ CDK1 P06493 2/20 0.58
▸ CCNA2 P20248 2/20 0.58
▸ CDK2 P24941 2/20 0.58
▸ CDK5 Q00535 2/20 0.58
▸ CDK16 Q00536 2/20 0.58
▸ CCNB1 P14635 1/20 0.58
▸ CDK7 P50613 1/20 0.58
▸ CCNH P51946 1/20 0.58
▸ MNAT1 P51948 1/20 0.58
▸ CDK5R1 Q15078 1/20 0.58
▸ CCNY Q8ND76 1/20 0.58
▸ CDK17 Q00537 1/20 0.48
▸ CDK18 Q07002 1/20 0.48
▸ DYRK1B Q9Y463 1/20 0.48

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
SCHEMBL12889749 0.92 CCNT1 (0.54) CDK9CCNKCCNT1CDK14CDK1
SCHEMBL12849955 0.92 CDK9 (0.57) CDK9CCNKCCNT1CDK14CDK1
SCHEMBL1192609 0.90 CDK9 (0.72) CDK9CCNKCCNT1CDK14CDK1
SCHEMBL1192606 0.90 CDK9 (0.72) CDK9CCNKCCNT1CDK14CDK1
SCHEMBL1192180 0.88 CCNT1 (0.73) CDK9CCNKCCNT1
SCHEMBL12889552 0.88 CCNT1 (0.58) CDK9CCNKCCNT1CDK14CDK1
SCHEMBL15377990 0.87 CCNT1 (0.61) CDK9CCNKCCNT1
SCHEMBL1191605 0.87 CCNT1 (0.61) CDK9CCNKCCNT1
SCHEMBL12889502 0.86 CCNT1 (0.58) CDK9CCNKCCNT1CDK14CDK1
SCHEMBL8786588 0.86 CCNK (0.54) CDK9CCNKCCNT1CDK14CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2668162-A1 SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES Novartis AG (CH) 2013-12-04 — — EP claimed
US-20130303507-A1 SUBSTITUTED HETERO-BIARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-11-14 — — US claimed
WO-2012101062-A1 SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 — — WO claimed
EP-2668162-A1 SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES Novartis AG (CH) 2013-12-04 — — EP disclosed
US-20130303507-A1 SUBSTITUTED HETERO-BIARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-11-14 — — US disclosed
WO-2012101062-A1 SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 — — WO disclosed
WO-2012101062-A1 SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 — — 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-20130303507-A1 SUBSTITUTED HETERO-BIARYL COMPOUNDS AND THEIR USES CDK9, CDK19, CDK3 CDK9 1/4885CCNK 29/4885CCNT1 50/4885

“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.