SCHEMBL2970753

SCHEMBL2970753

COc1ccc(C(=O)N(C)C2CCN(C)C2)cc1Nc1cncc(-c2ccc(OC(=O)C(F)(F)F)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 2/20 0.48
MCHR1 Q99705 9/20 0.46
BRAF P15056 4/20 0.41
RAF1 P04049 1/20 0.38
IGF1R P08069 1/20 0.37
PTK2 Q05397 2/20 0.37
SYK P43405 1/20 0.35
PFKFB3 Q16875 1/20 0.35

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
SCHEMBL2931446 0.91 MCHR1 (0.43) PIM3MCHR1PFKFB3
Trifluoroacetic Acid SCHEMBL2970750 0.91 PIM3 (0.46) PIM3MCHR1BRAFRAF1IGF1R
SCHEMBL13515293 0.90 PIM3 (0.49) PIM3MCHR1BRAFRAF1IGF1R
SCHEMBL2931441 0.84 BRAF (0.46) PIM3MCHR1BRAFRAF1IGF1R
SCHEMBL2933168 0.84 PFKFB3 (0.40) MCHR1PFKFB3
SCHEMBL2933931 0.82 PIM3 (0.53) PIM3BRAFRAF1SYK
Trifluoroacetic Acid SCHEMBL2931444 0.81 MCHR1 (0.42) PIM3MCHR1SYKPFKFB3
Trifluoroacetic Acid SCHEMBL2927211 0.80 BRAF (0.39) PIM3MCHR1BRAFPTK2
SCHEMBL13515309 0.80 MCHR1 (0.44) PIM3MCHR1BRAFIGF1RSYK
SCHEMBL13515287 0.79 MCHR1 (0.45) PIM3MCHR1BRAFPFKFB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044051-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB PUBL (SE) 2010-01-27 EP disclosed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 US 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-20080039450-A1 Compounds NEK2, CSNK2A3, CSNK2A1 PIM3 2131/4885MCHR1 1686/4885BRAF 524/4885

“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.