SCHEMBL14595668

SCHEMBL14595668

CNC(=N)NC1CCOC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HPGDS O60760 1/20 0.32
NAMPT P43490 2/20 0.30
BRD4 O60885 1/20 0.30

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
SCHEMBL4099547 0.88 KAT2B (0.33) CHRM4BRD4
SCHEMBL21587975 0.83
SCHEMBL10757362 0.83 CHRM4 (0.34) CHRM4NPC1RAB9AHPGDSNAMPT
SCHEMBL8368741 0.76 CHRM4 (0.39) CHRM4NPC1RAB9AHPGDSNAMPT
SCHEMBL25783693 0.76 CHRM1 (0.34)
SCHEMBL7886607 0.75
SCHEMBL10757360 0.74 CHRM4 (0.33) CHRM4NPC1RAB9AHPGDSNAMPT
Hydrochloric Acid SCHEMBL30996786 0.73 CHRM4 (0.32) CHRM4NPC1RAB9ANAMPT
SCHEMBL4103926 0.73 MAPK1 (0.34)
SCHEMBL4103966 0.72 SIGMAR1 (0.43) NPC1RAB9A

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
EP-3805217-A1 ERK INHIBITOR AND USE THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2021-04-14 EP disclosed
WO-2019233457-A1 ERK INHIBITOR AND USE THEREOF 贝达药业股份有限公司 (CN) 2019-12-12 WO disclosed
US-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases FINK CYNTHIA A 2007-03-15 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-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases BRAF, RAF1, NRAS CHRM4 4430/4885NPC1 1468/4885RAB9A 598/4885

“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.