SCHEMBL6417112

SCHEMBL6417112

COCCn1c(C(N)=O)nc2cc(NCC(=O)c3ccccc3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 8/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
AGTR1 P30556 2/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ACHE P22303 1/20 0.41
AKR1C3 P42330 1/20 0.40
ITK Q08881 4/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
RECQL P46063 1/20 0.39
INSR P06213 1/20 0.39

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
SCHEMBL6414828 0.87 JAK2 (0.45) ALDH1A1SMN1; SMN2AGTR1NPC1HPGD
SCHEMBL6416908 0.87 ITK (0.47) ACHEAKR1C3ITKINSR
SCHEMBL6419625 0.85 KIF11 (0.47) ALDH1A1SMN1; SMN2AGTR1NPC1HPGD
SCHEMBL6416231 0.85 ITK (0.44) ALDH1A1SMN1; SMN2AGTR1GAAMAPT
SCHEMBL6419529 0.84 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2AGTR1NPC1HPGD
SCHEMBL6413965 0.84 ACHE (0.39) ALDH1A1SMN1; SMN2AGTR1NPC1HPGD
SCHEMBL6277030 0.84 RECQL (0.42) ALDH1A1SMN1; SMN2AGTR1NPC1RAB9A
SCHEMBL6273358 0.83 ACHE (0.43) ALDH1A1SMN1; SMN2AGTR1NPC1HPGD
SCHEMBL6413981 0.82 POLB (0.38) ALDH1A1SMN1; SMN2AGTR1NPC1HPGD
SCHEMBL6415037 0.82 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2AGTR1NPC1HPGD

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 PTGER4 2209/4885ALDH1A1 3145/4885SMN1; SMN2 3626/4885

“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.