SCHEMBL2989095

SCHEMBL2989095

Cc1ccn2c(NCc3cccc(Cl)c3)c(-c3ncccc3O)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
GAA P10253 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
POLB P06746 2/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
NR1H4 Q96RI1 6/20 0.47
HPGD P15428 1/20 0.46
ATM Q13315 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
PKM P14618 1/20 0.42
PKLR P30613 1/20 0.42
NPSR1 Q6W5P4 4/20 0.41
HTT P42858 3/20 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 0.86 MAPT (0.60) MAPTGAASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2984337 0.85 MAPT (0.51) MAPTGAASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2992215 0.83 ALDH1A1 (0.51) MAPTGAASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2989780 0.80 MAPT (0.51) MAPTGAASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2986422 0.78 NR1H4 (0.47) MAPTGAASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2986387 0.78 PLAU (0.50) MAPTGAASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2990971 0.78 MAPT (0.57) MAPTGAASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2989981 0.77 GAA (0.64) MAPTGAASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2979689 0.77 NR1H4 (0.54) MAPTGAASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2987674 0.76 GAA (0.62) MAPTGAASMN1; SMN2ALDH1A1KDM4E

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 820/4885SMN1; SMN2 46/4885

“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.