Sugi Predict

Sugi Predict / Compounds / SCHEMBL1303541

SCHEMBL1303541

SCHEMBL1303541

COc1c(N)cc(C(F)(F)F)cc1NC(=O)c1cc2cccc(CN3CCN(C(=O)[C@@H]4CCCN4C)CC3)c2n1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 3/20 0.38
▸ BRAF P15056 2/20 0.36
▸ SLC9A1 P19634 1/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ TSHR P16473 3/20 0.34
▸ USP2 O75604 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SRPK1 Q96SB4 1/20 0.34
▸ ALOX15 P16050 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL1303050 0.95 ACKR3 (0.36) ACKR3BRAFSLC9A1MEN1KMT2A
SCHEMBL12103743 0.94 ACKR3 (0.37) ACKR3MEN1KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL1303081 0.93 ACKR3 (0.37) ACKR3MEN1KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL1302651 0.93 ACKR3 (0.37) ACKR3MEN1KMT2AKDM4EALDH1A1
SCHEMBL690015 0.90 ACKR3 (0.36) ACKR3BRAFSLC9A1MEN1KMT2A
SCHEMBL689318 0.90 LYN (0.38) ACKR3BRAFMEN1KMT2AKDM4E
SCHEMBL689590 0.86 ACKR3 (0.38) ACKR3BRAFMEN1KMT2AKDM4E
SCHEMBL691285 0.86 ACKR3 (0.36) ACKR3MEN1KMT2AKDM4EALDH1A1
SCHEMBL690121 0.85 ACKR3 (0.40) ACKR3BRAFMEN1KMT2AKDM4E
SCHEMBL690473 0.85 ACKR3 (0.39) ACKR3BRAFMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269737-A1 7-(Piperazine-1-Ymethyl)-1H-Indole-2-Carboxylic Acid (Phenyl)-Amide Derivatives and Allied Compounds as P38 Map Kinase Inhibitors for the Treatment of Respiratory Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 — — US disclosed
US-20110269737-A1 7-(Piperazine-1-Ymethyl)-1H-Indole-2-Carboxylic Acid (Phenyl)-Amide Derivatives and Allied Compounds as P38 Map Kinase Inhibitors for the Treatment of Respiratory Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 — — US disclosed
US-20110269737-A1 7-(Piperazine-1-Ymethyl)-1H-Indole-2-Carboxylic Acid (Phenyl)-Amide Derivatives and Allied Compounds as P38 Map Kinase Inhibitors for the Treatment of Respiratory Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 — — 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-20110269737-A1 7-(Piperazine-1-Ymethyl)-1H-Indole-2-Carboxylic Acid (Phenyl)-Amide Derivatives and Allied Compounds as P38 Map Kinase Inhibitors for the Treatment of Respiratory Diseases MAPKAPK2, MAPKAPK5, MAPK7 ACKR3 985/4885BRAF 1770/4885SLC9A1 3129/4885

“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.