SCHEMBL2990971

SCHEMBL2990971

Cc1ccn2c(NCCc3cccc(Cl)c3)c(-c3ccccc3O)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
GAA P10253 5/20 0.57
NR1H4 Q96RI1 2/20 0.50
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CASR P41180 1/20 0.43
PLAU P00749 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
ATM Q13315 4/20 0.42
TP53 P04637 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
PKM P14618 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
SCHEMBL2986401 0.91 MAPT (0.60) MAPTGAANR1H4POLBKDM4E
SCHEMBL2992236 0.90 GAA (0.63) MAPTGAANR1H4POLBKDM4E
SCHEMBL2977673 0.84 GAA (0.59) MAPTGAANR1H4POLBKDM4E
SCHEMBL2984337 0.84 MAPT (0.51) MAPTGAANR1H4POLBKDM4E
SCHEMBL2987674 0.83 GAA (0.62) MAPTGAANR1H4POLBKDM4E
SCHEMBL2989981 0.83 GAA (0.64) MAPTGAANR1H4POLBKDM4E
SCHEMBL2989961 0.82 GAA (0.67) MAPTGAANR1H4POLBKDM4E
SCHEMBL2992215 0.82 ALDH1A1 (0.51) MAPTGAANR1H4POLBKDM4E
SCHEMBL2979689 0.82 NR1H4 (0.54) MAPTGAANR1H4POLBKDM4E
SCHEMBL2979977 0.80 SIRT1 (0.51) MAPTGAANR1H4POLBKDM4E

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 MAPT 218/4885GAA 820/4885NR1H4 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.