SCHEMBL2359384

SCHEMBL2359384

CC(C)(C)Nc1ncccc1-c1nnnn1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.42
▸ GRM5 P41594 2/20 0.41
▸ GRM1 Q13255 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ SMARCA2 P51531 1/20 0.41
▸ SMARCA4 P51532 1/20 0.41
▸ PBRM1 Q86U86 1/20 0.41
▸ KIT P10721 2/20 0.40
▸ LMNA P02545 1/20 0.39
▸ GBA1 P04062 1/20 0.38
▸ GPR119 Q8TDV5 3/20 0.38
▸ ACHE P22303 1/20 0.38
▸ CKS1B P61024 1/20 0.36
▸ SKP1 P63208 1/20 0.36
▸ SKP2 Q13309 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ DTYMK P23919 1/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL2357708 0.90 GAA (0.38) AKT1GRM5GRM1LMNASMN1; SMN2
SCHEMBL2359723 0.86 BACE1 (0.38) SMARCA2SMARCA4PBRM1KITLMNA
SCHEMBL2359902 0.82 RET (0.49) GPR119
SCHEMBL1425424 0.79 KCNN4 (0.44) —
SCHEMBL1425298 0.78 KCNN4 (0.46) —
SCHEMBL1425971 0.76 KCNN4 (0.38) —
SCHEMBL987754 0.74 KCNN4 (0.47) TSHR
SCHEMBL982800 0.70 KCNN4 (0.46) —
SCHEMBL21401570 0.70 POLB (0.57) AKT1POLBSMARCA2SMARCA4PBRM1
SCHEMBL3436722 0.70 POLB (0.57) POLBKITGBA1GPR119ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518938-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-27 — — US disclosed
US-8518938-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-27 — — US disclosed
US-8518938-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-27 — — US disclosed
US-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 — — US disclosed
US-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 — — US disclosed
US-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 — — US disclosed
EP-2350045-A1 C-MET PROTEIN KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2011-08-03 — — EP disclosed
WO-2010048131-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-29 — — WO disclosed
WO-2010048131-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-29 — — 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-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 AKT1 52/4885GRM5 2030/4885GRM1 1412/4885

“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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