SCHEMBL4333032

SCHEMBL4333032

COc1ccc(-c2cn(C(=O)S)c3ncccc23)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.45
ELANE P08246 3/20 0.44
KIT P10721 5/20 0.43
SYK P43405 1/20 0.42
TRPM5 Q9NZQ8 1/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
DYRK1A Q13627 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
BRD4 O60885 2/20 0.41
BRD9 Q9H8M2 1/20 0.41
BRD7 Q9NPI1 1/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40

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
Benzamide SCHEMBL4341718 0.92 AAK1 (0.44) AAK1ELANEKITSYKKMT2A
SCHEMBL4339598 0.89 ELANE (0.45) AAK1ELANEKITSYKTRPM5
SCHEMBL4337037 0.89 ELANE (0.49) AAK1ELANEKITSYKTRPM5
SCHEMBL13666652 0.85 ELANE (0.54) AAK1ELANEKMT2A
SCHEMBL4333035 0.85 KIT (0.41) AAK1ELANEKITSYKTRPM5
SCHEMBL4333003 0.84 ELANE (0.46) AAK1ELANESYKKMT2AKDM4E
SCHEMBL4337673 0.83 CFTR (0.47) AAK1ELANEKITKMT2ATP53
SCHEMBL4342344 0.83 ELANE (0.47) AAK1ELANEKITSYKTRPM5
SCHEMBL13666654 0.83 HTT (0.50) AAK1ELANESYKTRPM5KMT2A
SCHEMBL5793214 0.83 ELANE (0.62) AAK1ELANEKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605168-B2 Phosphodiesterase 4; asthma, chronic obstructive pulmonary disease, Alzheimer's disease, diffuse large-cell B cell lymphoma, and chronic lymphocytic leukemia; 8-[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline PLEXXIKON, INC. (US) 2009-10-20 US disclosed
EP-1786813-A2 BICYCLIC HETEROARYL PDE4B INHIBITORS PLEXXIKON, INC. (US) 2007-05-23 EP disclosed
US-20060100218-A1 Phosphodiesterase 4; asthma, chronic obstructive pulmonary disease, Alzheimer's disease, diffuse large-cell B cell lymphoma, and chronic lymphocytic leukemia; 8-[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline PLEXXIKON, INC. 2006-05-11 US disclosed
WO-2006026754-A9 BICYCLIC HETEROARYL PDE4B INHIBITORS PLEXXIKON INC (US) 2006-04-20 WO disclosed
WO-2006026754-A2 BICYCLIC HETEROARYL PDE4B INHIBITORS PLEXXIKON, INC. (US) 2006-03-09 WO 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-20060100218-A1 Phosphodiesterase 4; asthma, chronic obstructive pulmonary disease, Alzheimer's disease, diffuse large-cell B cell lymphoma, and chronic lymphocytic leukemia; 8-[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline PDE4B, PDE4A, PDE4C AAK1 3869/4885ELANE 2065/4885KIT 2971/4885

“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.