SCHEMBL1192178

SCHEMBL1192178

CC(C)(C)OC(=O)N(CC1CCCOC1)c1ccc(Cl)c(-c2cc(F)ncc2Cl)n1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 7/20 0.35
▸ GPBAR1 Q8TDU6 1/20 0.34
▸ CDK9 P50750 3/20 0.33
▸ KAT8 Q9H7Z6 2/20 0.33
▸ MAPK1 P28482 5/20 0.33
▸ CCNK O75909 1/20 0.33
▸ KAT7 O95251 1/20 0.32
▸ PSEN1 P49768 2/20 0.32
▸ PSEN2 P49810 2/20 0.32
▸ APH1B Q8WW43 2/20 0.32
▸ NCSTN Q92542 2/20 0.32
▸ APH1A Q96BI3 2/20 0.32
▸ PSENEN Q9NZ42 2/20 0.32

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
SCHEMBL1948934 0.84 CCNT1 (0.35) CCNT1CDK9MAPK1CCNK
SCHEMBL1948800 0.84 CCNT1 (0.35) CCNT1CDK9MAPK1CCNK
SCHEMBL1191751 0.84 CCNT1 (0.35) CCNT1CDK9MAPK1CCNK
SCHEMBL1192484 0.81 PSEN1 (0.35) GPBAR1KAT8PSEN1PSEN2APH1B
SCHEMBL1463792 0.78 CCNT1 (0.32) CCNT1CDK9MAPK1
SCHEMBL1439679 0.74 MAPK1 (0.43) CDK9MAPK1CCNK
SCHEMBL1192581 0.73 CCNT1 (0.40) CCNT1CDK9CCNK
SCHEMBL1439747 0.73 CDK9 (0.38) CCNT1CDK9MAPK1CCNK
SCHEMBL1441318 0.72 MAPK1 (0.40) CCNT1CDK9MAPK1CCNK
SCHEMBL1192565 0.72 CCNT1 (0.37) CCNT1CDK9MAPK1CCNK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459535-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS PROTEIN KINASE MODULATORS NOVARTIS AG (CH) 2015-03-25 — — EP disclosed
US-20140288076-A1 HETEROARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2014-09-25 — — US disclosed
US-8778951-B2 Heteroaryl compounds and their uses NOVARTIS AG (CH) 2014-07-15 — — US disclosed
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
US-20130172354-A1 HETEROARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-07-04 — — US disclosed
US-8415381-B2 Heteroaryl compounds and their uses NOVARTIS AG (CH) 2013-04-09 — — US disclosed
WO-2012101065-A2 PYRIMIDINE BIARYL AMINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 — — WO disclosed
WO-2012101066-A1 PYRIDINE BIARYL AMINE COMPOUNDS 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
EP-2459535-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS PROTEIN KINASE MODULATORS Novartis AG (CH) 2012-06-06 — — EP disclosed
US-20110028492-A1 Heteroaryl Compounds and Their Uses NOVARTIS AG (CH) 2011-02-03 — — US disclosed
WO-2011012661-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS PROTEIN KINASE MODULATORS NOVARTIS AG (CH) 2011-02-03 — — 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 (4 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-20130172354-A1 HETEROARYL COMPOUNDS AND THEIR USES CDK9, CDK19, CDK3 CCNT1 76/4885GPBAR1 990/4885CDK9 1/4885
US-20140288076-A1 HETEROARYL COMPOUNDS AND THEIR USES CDK9, CDK19, CDK3 CCNT1 76/4885GPBAR1 990/4885CDK9 1/4885
US-20110028492-A1 Heteroaryl Compounds and Their Uses CDK9, CDK19, CDK3 CCNT1 76/4885GPBAR1 990/4885CDK9 1/4885
US-20130303507-A1 SUBSTITUTED HETERO-BIARYL COMPOUNDS AND THEIR USES CDK9, CDK19, CDK3 CCNT1 50/4885GPBAR1 778/4885CDK9 1/4885

“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.

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