SCHEMBL21814733

SCHEMBL21814733

COc1ccc2nc(NCc3cccnc3)oc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.59
CD274 Q9NZQ7 1/20 0.59
ALDH1A1 P00352 5/20 0.50
HPGD P15428 1/20 0.50
CYP3A4 P08684 8/20 0.49
CYP2C19 P33261 8/20 0.49
CYP1A2 P05177 7/20 0.49
CYP2D6 P10635 7/20 0.49
CLK4 Q9HAZ1 5/20 0.49
HSD17B10 Q99714 4/20 0.49
LMNA P02545 3/20 0.49
TSHR P16473 3/20 0.49
KDM4E B2RXH2 2/20 0.49
POLB P06746 2/20 0.49
GAA P10253 2/20 0.49
GLA P06280 1/20 0.49
CYP2C9 P11712 4/20 0.48
MAPK1 P28482 3/20 0.48
USP2 O75604 2/20 0.48
HIF1A Q16665 1/20 0.48

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
SCHEMBL21815244 0.87 RAB9A (0.55) RAB9AALDH1A1CYP3A4CYP2C19CYP1A2
SCHEMBL21814723 0.85 MTNR1A (0.53) RAB9AALDH1A1HPGDHSD17B10TSHR
SCHEMBL21815332 0.85 PIK3CA (0.45) RAB9ACD274ALDH1A1MEN1KMT2A
SCHEMBL21815156 0.84 MEN1 (0.46) RAB9ACD274MEN1KMT2ATP53
SCHEMBL21814778 0.82 MEN1 (0.51) RAB9AALDH1A1HPGDCYP1A2CYP2D6
SCHEMBL26264120 0.81 ALDH1A1 (0.43) RAB9ACD274ALDH1A1HPGDHSD17B10
SCHEMBL26264234 0.81 ALDH1A1 (0.43) RAB9ACD274ALDH1A1HPGDHSD17B10
SCHEMBL24095268 0.81 MEN1 (0.49) RAB9AKDM4EMEN1KMT2ATP53
SCHEMBL30583227 0.80 ALDH1A1 (0.59) RAB9AALDH1A1HPGDCYP3A4CYP2C19
SCHEMBL26264911 0.79 MEN1 (0.43) RAB9ACD274CYP3A4CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12162871-B2 Inhibitors of VAP-1 ACUCELA INC. (US) 2024-12-10 US disclosed
US-11787791-B2 Inhibitors of VAP-1 ACUCELA INC. (US) 2023-10-17 US disclosed
US-11787791-B2 Inhibitors of VAP-1 ACUCELA INC. (US) 2023-10-17 US disclosed
US-20230295140-A1 INHIBITORS OF VAP-1 ACUCELA INC. 2023-09-21 US disclosed
US-20230295140-A1 INHIBITORS OF VAP-1 ACUCELA INC. 2023-09-21 US disclosed
US-20210387975-A1 INHIBITORS OF VAP-1 ACUCELA INC. 2021-12-16 US disclosed
EP-3856176-A2 INHIBITORS OF VAP-1 Acucela Inc. (US) 2021-08-04 EP disclosed
CN-113164454-A Inhibitors of VAP-1 奥克塞拉有限公司 2021-07-23 CN disclosed
WO-2020069330-A2 INHIBITORS OF VAP-1 ACUCELA INC. (US) 2020-04-02 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 (4 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-11787791-B2 Inhibitors of VAP-1 VAPB, VAPA, TOE1 RAB9A 829/4885CD274 1284/4885ALDH1A1 869/4885
US-20230295140-A1 INHIBITORS OF VAP-1 VAPB, VAPA, TOE1 RAB9A 829/4885CD274 1284/4885ALDH1A1 869/4885
US-20210387975-A1 INHIBITORS OF VAP-1 VAPB, VAPA, TOE1 RAB9A 829/4885CD274 1284/4885ALDH1A1 869/4885
US-12162871-B2 Inhibitors of VAP-1 VAPB, VAPA, TOE1 RAB9A 829/4885CD274 1284/4885ALDH1A1 869/4885

“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.