SCHEMBL3667987

SCHEMBL3667987

Oc1nc2ncc(Cl)cc2n1CCc1ccncc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.38
THRB P10828 1/20 0.35
KDR P35968 4/20 0.35
FLT1 P17948 3/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HRH1 P35367 3/20 0.34
HTR6 P50406 3/20 0.34
MKNK2 Q9HBH9 4/20 0.33
MKNK1 Q9BUB5 2/20 0.33
CASR P41180 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KDM4A O75164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL3668536 0.86 SRC (0.40) L3MBTL1HRH3HRH1HTR6KDM4E
SCHEMBL3677182 0.80 CYP3A4 (0.41) THRBHRH1HTR6MKNK2MKNK1
SCHEMBL3667905 0.80 GRM2 (0.39) L3MBTL1TDP1HRH1
SCHEMBL3668071 0.79 HPGD (0.38) LMNATDP1HRH3HRH4KDM4E
SCHEMBL3675941 0.79 KMT2A (0.42) HRH3HRH4HPGDHTTHSD17B10
SCHEMBL3671987 0.77 NUDT1 (0.45) HRH3HRH4HPGDHTTHSD17B10
SCHEMBL3669844 0.76 ALDH1A1 (0.53) L3MBTL1TDP1CYP1A2KDM4EKDM4A
SCHEMBL3670195 0.76 KDM4E (0.40) LMNATDP1HRH3HRH4KDM4E
SCHEMBL3672462 0.75 HRH4 (0.36) L3MBTL1TDP1HRH3CYP1A2CYP3A4
SCHEMBL3669547 0.75 CTSL (0.36) HRH3HRH4HPGDHTTHSD17B10

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US claimed
EP-2139478-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-01-06 EP claimed
WO-2008121333-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-10-09 WO claimed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US claimed
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
EP-2139478-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-01-06 EP disclosed
WO-2008121333-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-10-09 WO disclosed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US disclosed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US disclosed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US 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-20080242695-A1 Certain Chemical Entities, Compositions, and Methods TNNC1, TNNI3, TNNT2 CYP19A1 4211/4885THRB 126/4885KDR 4046/4885

“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.