SCHEMBL1948934

SCHEMBL1948934

CC(C)(C)OC(=O)N(C[C@H]1CCOC(C)(C)C1)c1ccc(Cl)c(-c2cc(F)ncc2Cl)n1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 5/20 0.35
▸ CDK9 P50750 4/20 0.35
▸ GRM4 Q14833 2/20 0.33
▸ GRM2 Q14416 4/20 0.33
▸ MAPK1 P28482 5/20 0.32
▸ CCNK O75909 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ TACR3 P29371 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
SCHEMBL1191751 1.00 CCNT1 (0.35) CCNT1CDK9GRM4GRM2MAPK1
SCHEMBL1948800 1.00 CCNT1 (0.35) CCNT1CDK9GRM4GRM2MAPK1
SCHEMBL1192565 0.89 CCNT1 (0.37) CCNT1CDK9GRM4GRM2MAPK1
SCHEMBL1192581 0.89 CCNT1 (0.40) CCNT1CDK9GRM4CCNKHDAC1
SCHEMBL1192178 0.84 CCNT1 (0.35) CCNT1CDK9MAPK1CCNK
SCHEMBL1192524 0.82 GRM4 (0.33) CCNT1CDK9GRM4GRM2MAPK1
SCHEMBL10179677 0.78 GRM4 (0.37) CCNT1CDK9GRM4GRM2MAPK1
SCHEMBL1463792 0.77 CCNT1 (0.32) CCNT1CDK9MAPK1
SCHEMBL1191828 0.77 CCNT1 (0.42) CCNT1CDK9GRM4GRM2CCNK
SCHEMBL1946266 0.75 ALDH1A1 (0.35) GRM4MAPK1HDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110130380-A1 Heteroaryl Kinase Inhibitors NOVARTIS AG (CH) 2011-06-02 — — US disclosed
US-20110130380-A1 Heteroaryl Kinase Inhibitors NOVARTIS AG (CH) 2011-06-02 — — US disclosed
US-20110130380-A1 Heteroaryl Kinase Inhibitors NOVARTIS AG (CH) 2011-06-02 — — US disclosed
WO-2011026911-A1 BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-03-10 — — 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-20110130380-A1 Heteroaryl Kinase Inhibitors CDK2, CDK1, CDKL1 CCNT1 47/4885CDK9 5/4885GRM4 4036/4885

“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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