SCHEMBL3665406

SCHEMBL3665406

CC(=O)NCCn1c(O)nc2ncc(Cl)c(C#N)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.38
MTNR1B P49286 6/20 0.38
PIK3CD O00329 2/20 0.35
PIK3R2 O00459 2/20 0.35
PIK3CG P48736 2/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 4/20 0.34
TP53 P04637 1/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
ALDH1A1 P00352 3/20 0.33
POLB P06746 3/20 0.33
PKM P14618 3/20 0.33
HPGD P15428 3/20 0.33
GLA P06280 2/20 0.33
ADORA2A P29274 1/20 0.33
SCD O00767 1/20 0.32
P2RX3 P56373 1/20 0.32
CCNT1 O60563 1/20 0.32

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
SCHEMBL3675907 0.79 HPGD (0.37) LMNANPSR1KDM4ETP53ALDH1A1
SCHEMBL3666351 0.70 SMN1; SMN2 (0.39) MTNR1AMTNR1BLMNAKDM4ETP53
SCHEMBL3669357 0.69
SCHEMBL10414214 0.68 KDM4E (0.44) MTNR1AMTNR1BLMNANPSR1KDM4E
SCHEMBL3666998 0.68 KDM4E (0.35) LMNAKDM4ECNR1CNR2ADORA2A
SCHEMBL2296327 0.66 HDAC1 (0.39) LMNAKDM4ECNR1CNR2
SCHEMBL3670605 0.65 CNR2 (0.34) LMNANPSR1KDM4ECNR1CNR2
SCHEMBL7893080 0.65 KDM4E (0.48) LMNANPSR1KDM4ETP53ALDH1A1
SCHEMBL3768996 0.64 SIRT2 (0.34) LMNANPSR1CNR1CNR2POLB
SCHEMBL3670224 0.64 HSD17B10 (0.36) LMNAKDM4EALDH1A1POLBHPGD

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 MTNR1A 2216/4885MTNR1B 3133/4885PIK3CD 2206/4885

“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.