SCHEMBL2993469

SCHEMBL2993469

Cc1ccn2c(NCCNc3ccc(F)cc3)c(-c3ccccc3O)nc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 12/20 0.67
MAPT P10636 11/20 0.67
TP53 P04637 5/20 0.53
MAPK1 P28482 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
GFER P55789 1/20 0.48
NR1H4 Q96RI1 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 2/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
PKM P14618 1/20 0.44
PKLR P30613 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
THRB P10828 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TDP1 Q9NUW8 2/20 0.43

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
SCHEMBL2977673 0.90 GAA (0.59) GAAMAPTTP53MAPK1KMT2A
SCHEMBL2977831 0.89 GAA (0.63) GAAMAPTTP53MAPK1KMT2A
SCHEMBL2982183 0.88 GAA (0.62) GAAMAPTTP53MAPK1KMT2A
SCHEMBL2983204 0.86 GAA (0.60) GAAMAPTTP53MAPK1KMT2A
SCHEMBL2986712 0.84 GAA (0.59) GAAMAPTTP53MAPK1KMT2A
SCHEMBL2992236 0.83 GAA (0.63) GAAMAPTTP53MAPK1KMT2A
SCHEMBL2985959 0.83 GAA (0.58) GAAMAPTTP53MAPK1KMT2A
SCHEMBL2979602 0.82 GAA (0.60) GAAMAPTNR1H4SMN1; SMN2KDM4E
SCHEMBL2986734 0.82 GAA (0.62) GAAMAPTTP53MAPK1KMT2A
SCHEMBL2989961 0.81 GAA (0.67) GAAMAPTKMT2AMEN1NR1H4

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 218/4885TP53 1830/4885

“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.