SCHEMBL18173667

SCHEMBL18173667

c1cnc2c(c1)COc1ccccc1N2

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
IDH1 O75874 13/20 0.41
DRD4 P21917 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX5 P09917 1/20 0.38
DHODH Q02127 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL14279297 0.87 CYP1A2 (0.42) CYP1A2SMN1; SMN2IDH1GAANPSR1
SCHEMBL14279299 0.80 CYP11B1 (0.39) IDH1
SCHEMBL2008333 0.76 ALOX5 (0.54) SMN1; SMN2GAANPSR1ALOX5KMT2A
SCHEMBL31318619 0.76 CYP11B1 (0.44) CYP1A2SMN1; SMN2IDH1
SCHEMBL626942 0.76 CYP11B1 (0.44) CYP1A2SMN1; SMN2IDH1
SCHEMBL15985267 0.75 NPC1 (0.50) CYP1A2SMN1; SMN2IDH1GAAKMT2A
SCHEMBL11812093 0.75 SRC (0.49) CYP1A2SMN1; SMN2IDH1KMT2A
SCHEMBL20496680 0.75 ALOX5 (0.59) CYP1A2SMN1; SMN2GAANPSR1ALOX5
SCHEMBL4162589 0.74 CYP1A2 (0.50) CYP1A2SMN1; SMN2IDH1GAANPSR1
SCHEMBL14279307 0.73 DRD4 (0.40) IDH1DRD4GAAKMT2A

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
EP-3250035-B1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS ALLGENESIS BIOTHERAPEUTICS INC (TW) 2023-01-25 EP disclosed
US-10870635-B2 Compounds and their use as BACE1 inhibitors ALLGENESIS BIOTHERAPEUTICS, INC. (TW) 2020-12-22 US disclosed
US-20180201604-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS ALLGENESIS BIOTHERAPEUTICS, INC. (TW) 2018-07-19 US disclosed
EP-3250035-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS Allgenesis Biotherapeutics Inc. (TW) 2017-12-06 EP disclosed
WO-2016172255-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS ALLGENESIS BIOTHERAPEUTICS, INC. (TW) 2016-10-27 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-10870635-B2 Compounds and their use as BACE1 inhibitors BACE1, BACE2, APP CYP1A2 3610/4885SMN1; SMN2 56/4885IDH1 4123/4885
US-20180201604-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS BACE1, BACE2, APP CYP1A2 3624/4885SMN1; SMN2 55/4885IDH1 4104/4885

“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.