SCHEMBL2977673

SCHEMBL2977673

Cc1ccn2c(NCCc3ccc(F)cc3)c(-c3ccccc3O)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.59
MAPT P10636 6/20 0.59
NR1H4 Q96RI1 2/20 0.49
TP53 P04637 3/20 0.46
POLB P06746 3/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
RXFP1 Q9HBX9 1/20 0.43
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
PKM P14618 1/20 0.42
PKLR P30613 1/20 0.42
HPGD P15428 1/20 0.42
ATM Q13315 1/20 0.42
SIRT1 Q96EB6 1/20 0.41

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
SCHEMBL2992236 0.92 GAA (0.63) GAAMAPTNR1H4TP53POLB
SCHEMBL2982183 0.91 GAA (0.62) GAAMAPTNR1H4TP53POLB
SCHEMBL2993469 0.90 GAA (0.67) GAAMAPTNR1H4TP53POLB
SCHEMBL2990971 0.84 MAPT (0.57) GAAMAPTNR1H4TP53POLB
SCHEMBL2992363 0.83 GAA (0.72) GAAMAPTNR1H4TP53POLB
SCHEMBL2979602 0.83 GAA (0.60) GAAMAPTNR1H4POLBALDH1A1
SCHEMBL2986712 0.82 GAA (0.59) GAAMAPTTP53POLBALDH1A1
SCHEMBL2989961 0.82 GAA (0.67) GAAMAPTNR1H4POLBALDH1A1
SCHEMBL2985959 0.81 GAA (0.58) GAAMAPTTP53POLBALDH1A1
SCHEMBL2977831 0.81 GAA (0.63) GAAMAPTNR1H4TP53POLB

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-20100173930-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-07-08 US claimed
WO-2008016648-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO claimed
US-20100173930-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-07-08 US disclosed
WO-2008016648-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 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-20100173930-A1 Certain Chemical Entities, Compositions and Methods TNNC1, TNNI3, TNNT2 GAA 820/4885MAPT 218/4885NR1H4 4747/4885

“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.