SCHEMBL6420657

SCHEMBL6420657

Cc1ccc(CCn2c(C(N)=O)nc3cc(NCC(=O)c4ccccc4)ccc32)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
AGTR1 P30556 1/20 0.39
PKM P14618 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
JAK2 O60674 4/20 0.38
JAK1 P23458 4/20 0.38
TYK2 P29597 4/20 0.38
JAK3 P52333 4/20 0.38
KMT2A Q03164 2/20 0.37

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
SCHEMBL6275055 0.88 HDAC1 (0.46) ALDH1A1KDM4EMAPTGAASMN1; SMN2
SCHEMBL6413981 0.82 POLB (0.38) ALDH1A1KDM4EMAPTGAASMN1; SMN2
SCHEMBL6272962 0.82 HDAC1 (0.43) ALDH1A1KDM4EMAPTGAASMN1; SMN2
SCHEMBL6420659 0.82 ITK (0.51)
SCHEMBL6413089 0.82 ACHE (0.38) ALDH1A1KDM4EMAPTGAASMN1; SMN2
SCHEMBL6414828 0.82 JAK2 (0.45) ALDH1A1MAPTGAASMN1; SMN2AGTR1
SCHEMBL6416908 0.81 ITK (0.47) ACHEAKR1C3
SCHEMBL6417136 0.81 ACHE (0.39) ALDH1A1KDM4EMAPTGAASMN1; SMN2
SCHEMBL6417112 0.81 PTGER4 (0.44) ALDH1A1MAPTGAASMN1; SMN2AGTR1
SCHEMBL6419625 0.80 KIF11 (0.47) ALDH1A1MAPTGAASMN1; SMN2AGTR1

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 ALDH1A1 3145/4885KDM4E 2880/4885MAPT 2220/4885

“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.