SCHEMBL2990330

SCHEMBL2990330

CCc1ccn2c(NCc3ccc(F)cc3)c(-c3ccc(O)cc3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.56
ALDH1A1 P00352 7/20 0.56
HPGD P15428 5/20 0.56
NR1H4 Q96RI1 2/20 0.53
PLAU P00749 2/20 0.50
GAA P10253 6/20 0.49
MAPT P10636 3/20 0.49
HSD17B10 Q99714 3/20 0.49
TSHR P16473 2/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 2/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
RCE1 Q9Y256 1/20 0.44
ALOX15 P16050 1/20 0.43
CASP1 P29466 1/20 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
SCHEMBL2982973 0.89 ALDH1A1 (0.68) KDM4EALDH1A1HPGDNR1H4GAA
SCHEMBL2987957 0.86 ALDH1A1 (0.54) KDM4EALDH1A1HPGDNR1H4PLAU
SCHEMBL2987849 0.84 ALDH1A1 (0.52) KDM4EALDH1A1HPGDNR1H4PLAU
SCHEMBL2990349 0.83 KDM4E (0.52) KDM4EALDH1A1HPGDNR1H4PLAU
SCHEMBL2987914 0.83 NR1H4 (0.56) KDM4EALDH1A1NR1H4PLAUGAA
SCHEMBL2992416 0.82 KDM4E (0.66) KDM4EALDH1A1HPGDNR1H4PLAU
SCHEMBL2983493 0.80 NR1H4 (0.65) KDM4EALDH1A1HPGDNR1H4PLAU
SCHEMBL2988806 0.78 NR1H4 (0.80) NR1H4GAAMAPT
SCHEMBL19723753 0.78 NR1H4 (0.72) KDM4EALDH1A1HPGDNR1H4GAA
SCHEMBL14561738 0.78

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 KDM4E 4444/4885ALDH1A1 3165/4885HPGD 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.