SCHEMBL2982973

SCHEMBL2982973

Cc1ccn2c(NCc3ccc(F)cc3)c(-c3ccc(O)cc3)nc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.68
KDM4E B2RXH2 7/20 0.68
HPGD P15428 3/20 0.68
NR1H4 Q96RI1 3/20 0.57
GAA P10253 8/20 0.53
MAPT P10636 7/20 0.53
MAPK1 P28482 3/20 0.53
RAB9A P51151 3/20 0.53
NPSR1 Q6W5P4 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
POLB P06746 2/20 0.51
PKM P14618 2/20 0.51
NPC1 O15118 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
PKLR P30613 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ATM Q13315 1/20 0.47
ALOX5 P09917 1/20 0.47
USP7 Q93009 1/20 0.46

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
SCHEMBL2990330 0.89 KDM4E (0.56) ALDH1A1KDM4EHPGDNR1H4GAA
SCHEMBL19723753 0.89 NR1H4 (0.72) ALDH1A1KDM4EHPGDNR1H4GAA
SCHEMBL2987957 0.88 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDNR1H4GAA
SCHEMBL2987849 0.86 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDNR1H4GAA
SCHEMBL2990349 0.85 KDM4E (0.52) ALDH1A1KDM4EHPGDNR1H4GAA
SCHEMBL2988806 0.84 NR1H4 (0.80) NR1H4GAAMAPTPOLBALOX5
SCHEMBL2992416 0.84 KDM4E (0.66) ALDH1A1KDM4EHPGDNR1H4GAA
SCHEMBL5425036 0.83 NR1H4 (0.62) ALDH1A1KDM4EHPGDNR1H4GAA
SCHEMBL2982183 0.83 GAA (0.62) ALDH1A1KDM4EHPGDNR1H4GAA
SCHEMBL2983493 0.81 NR1H4 (0.65) ALDH1A1KDM4EHPGDNR1H4GAA

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 3 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
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 ALDH1A1 3165/4885KDM4E 4444/4885HPGD 2681/4885

“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.