SCHEMBL14023398

SCHEMBL14023398

CN(C)CCNC(=O)c1cc(N)cc(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
LMNA P02545 3/20 0.52
HPGD P15428 2/20 0.52
KDM4E B2RXH2 2/20 0.52
GLA P06280 1/20 0.52
GAA P10253 1/20 0.52
HSD17B10 Q99714 1/20 0.52
USP2 O75604 1/20 0.51
CYP1A2 P05177 1/20 0.50
MAPK1 P28482 2/20 0.48
SLC22A2 O15244 1/20 0.48
SLC22A1 O15245 1/20 0.48
TSHR P16473 1/20 0.48
ACHE P22303 1/20 0.48
CYP2C19 P33261 1/20 0.48
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
SETD7 Q8WTS6 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL30418534 0.89 ALDH1A1 (0.58) ALDH1A1LMNAHPGDKDM4EGLA
SCHEMBL15485079 0.81 MEN1 (0.57) ALDH1A1HPGDKDM4EGLASMN1; SMN2
SCHEMBL29802336 0.79 ALDH1A1 (0.47) ALDH1A1LMNAHPGDKDM4EGLA
SCHEMBL3540096 0.79 ALDH1A1 (0.47) ALDH1A1LMNAHPGDKDM4EGLA
SCHEMBL15485248 0.79 ALDH1A1 (0.46) ALDH1A1LMNAHPGDKDM4EGLA
SCHEMBL28967047 0.79 USP2 (0.45) ALDH1A1LMNAHPGDKDM4EGLA
Hydrochloric Acid SCHEMBL17592286 0.78 ALDH1A1 (0.46) ALDH1A1LMNAHPGDKDM4EGLA
SCHEMBL14023403 0.78 KDM4E (0.58) ALDH1A1LMNAKDM4EGAACYP1A2
SCHEMBL20412731 0.78 HTT (0.58) ALDH1A1LMNAHPGDKDM4EGLA
SCHEMBL2747362 0.78 MAP4K4 (0.54) ALDH1A1LMNAKDM4EUSP2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701670-B2 Pyrazolyl-ureas as kinase inhibitors RESPIVERT LIMITED (GB) 2017-07-11 US disclosed
EP-2885284-B1 PYRAZOLYL-UREAS AS KINASE INHIBITORS RESPIVERT LTD (GB) 2016-11-02 EP disclosed
CN-105073725-A Pyrazolyl-ureas as kinase inhibitors RESPIVERT LTD 2015-11-18 CN disclosed
US-20150218137-A1 PYRAZOLYL-UREAS AS KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2015-08-06 US disclosed
EP-2885284-A1 PYRAZOLYL-UREAS AS KINASE INHIBITORS Respivert Limited (GB) 2015-06-24 EP disclosed
US-20140057915-A1 KINASE INHIBITORS TOPIVERT PHARMA LIMITED (GB) 2014-02-27 US disclosed
WO-2014027209-A1 PYRAZOLYL-UREAS AS KINASE INHIBITORS RESPIVERT LIMITED (GB) 2014-02-20 WO disclosed
WO-2008140420-A2 PYRIMIDINE DERIVATIVES S*BIO PTE LTD (SG) 2008-11-20 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 (2 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-20150218137-A1 PYRAZOLYL-UREAS AS KINASE INHIBITORS SYK, BTK, LYN ALDH1A1 3817/4885LMNA 4618/4885HPGD 3014/4885
US-20140057915-A1 KINASE INHIBITORS SYK, BTK, LYN ALDH1A1 3858/4885LMNA 4609/4885HPGD 3467/4885

“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.