SCHEMBL2299861

SCHEMBL2299861

CCCCCn1c(O)nc2ncc(Cl)c(-c3ccncc3Cl)c21

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 3/20 0.32
MITF O75030 2/20 0.31
LMNA P02545 2/20 0.31
NOD1 Q9Y239 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TLR8 Q9NR97 1/20 0.31
XBP1 P17861 2/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
TNF P01375 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
NOD2 Q9HC29 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
PTPN11 Q06124 1/20 0.30
CHEK1 O14757 1/20 0.30
WEE1 P30291 1/20 0.30
LATS2 Q9NRM7 1/20 0.30

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
SCHEMBL2300373 0.91 ICMT (0.36)
SCHEMBL2298472 0.87 RIPK3 (0.35) LMNASMN1; SMN2TLR8KDM4ENPSR1
SCHEMBL2296121 0.84 TLR8 (0.42) SMN1; SMN2TLR8KDM4ENPC1NPSR1
SCHEMBL2299773 0.84 TLR8 (0.40) LMNASMN1; SMN2TLR8KDM4ENPC1
SCHEMBL2300170 0.83 TLR8 (0.38) LMNATLR8KDM4ECHEK1WEE1
SCHEMBL2297735 0.82 TLR8 (0.39) LMNASMN1; SMN2TLR8KDM4EALDH1A1
SCHEMBL2296013 0.81 AXL (0.35) LMNATLR8ALDH1A1
SCHEMBL2300654 0.81 CRHR1 (0.40) TLR8KDM4E
SCHEMBL2296335 0.81 GRM2 (0.33) TLR8
SCHEMBL2299677 0.81 ESR1 (0.38) SMN1; SMN2KDM4ENPC1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989469-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED (US) 2011-08-02 US claimed
EP-2244711-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-11-03 EP claimed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 US claimed
WO-2009099594-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-08-13 WO claimed
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 US disclosed
US-7989469-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED (US) 2011-08-02 US disclosed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 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 (2 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-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TNNC1, TNNI3, TNNT2 LATS1 804/4885MITF 4182/4885LMNA 392/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 LATS1 995/4885MITF 4266/4885LMNA 409/4885

“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.