SCHEMBL6419625

SCHEMBL6419625

COc1ccccc1CCn1c(C(N)=O)nc2cc(NCC(=O)c3ccccc3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.47
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
CYP2C9 P11712 1/20 0.40
ITK Q08881 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
ALDH1A1 P00352 3/20 0.40
AGTR1 P30556 2/20 0.40
HPGD P15428 1/20 0.40
KDM4A O75164 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
RECQL P46063 1/20 0.38
GAA P10253 1/20 0.38
ACHE P22303 1/20 0.38
GNRHR P30968 1/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL6417112 0.85 PTGER4 (0.44) MAPTNPC1RAB9AITKSMN1; SMN2
SCHEMBL6413965 0.84 ACHE (0.39) KIF11MAPTNPC1RAB9ACYP2C9
SCHEMBL6413981 0.83 POLB (0.38) KIF11MAPTNPC1RAB9ACYP2C9
SCHEMBL6414828 0.82 JAK2 (0.45) MAPTNPC1RAB9AITKSMN1; SMN2
SCHEMBL6416908 0.82 ITK (0.47) ITKACHE
SCHEMBL6419628 0.81 ITK (0.53) ITK
SCHEMBL6272962 0.81 HDAC1 (0.43) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6416231 0.80 ITK (0.44) MAPTITKSMN1; SMN2ALDH1A1AGTR1
SCHEMBL6420657 0.80 ALDH1A1 (0.39) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6419529 0.80 SMN1; SMN2 (0.47) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050209284-A1 Tec kinase inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-22 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-20050209284-A1 Tec kinase inhibitors TEC, ITK, TXK KIF11 4298/4885MAPT 2220/4885NPSR1 3361/4885

“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.