SCHEMBL2989754

SCHEMBL2989754

CCOc1ccc2nc(O)[c]cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
KMT2A Q03164 6/20 0.43
ALDH1A1 P00352 6/20 0.43
TSHR P16473 5/20 0.43
HSD17B10 Q99714 4/20 0.43
TP53 P04637 2/20 0.43
CYP3A4 P08684 1/20 0.43
KDM4E B2RXH2 5/20 0.43
MEN1 O00255 4/20 0.43
HPGD P15428 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 5/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
THRB P10828 2/20 0.40
NCF1 P14598 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL2989781 0.73 CYP1A2 (0.47) PDE3BPDE3AKMT2AALDH1A1KDM4E
SCHEMBL20310050 0.72 PDE3B (0.48) PDE3BPDE3AKMT2AALDH1A1TSHR
SCHEMBL13856719 0.71 KMT2A (0.49) PDE3BPDE3AKMT2AALDH1A1TSHR
SCHEMBL18250877 0.71 MAP4K4 (0.47) PDE3BPDE3AKMT2AALDH1A1TSHR
SCHEMBL4857055 0.71 KMT2A (0.53) PDE3BPDE3AKMT2AALDH1A1TSHR
SCHEMBL29629327 0.71 NQO1 (0.68) KMT2AALDH1A1TSHRHSD17B10TP53
SCHEMBL3825385 0.71 NQO1 (0.68) KMT2AALDH1A1TSHRHSD17B10TP53
SCHEMBL9694076 0.70 KDM4E (0.54) PDE3BPDE3AKMT2AALDH1A1TSHR
SCHEMBL16764529 0.70 ALDH1A1 (0.50) PDE3BPDE3AKMT2AALDH1A1TSHR
SCHEMBL2323241 0.69 KMT2A (0.54) PDE3BPDE3AKMT2AALDH1A1TSHR

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 PDE3B 1406/4885PDE3A 878/4885KMT2A 4065/4885

“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.