SCHEMBL6829973

SCHEMBL6829973

COc1nc(N)cnc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 6/20 0.36
PDCD1 Q15116 3/20 0.36
CDK2 P24941 1/20 0.35
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34
MAPT P10636 1/20 0.33
CASP1 P29466 1/20 0.33
AURKA O14965 1/20 0.33
TTK P33981 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
CYP1A2 P05177 1/20 0.32
SCN2A Q99250 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PIK3CD O00329 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL6170483 0.78 CCR4 (0.43) CD274PDCD1CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL13745097 0.78 PIK3CA (0.35) CDK2P2RX3P2RX2MAPTCASP1
SCHEMBL26281254 0.77 CCR4 (0.41) CD274PDCD1CYP1A2KDM4EALDH1A1
SCHEMBL12767704 0.77 PIK3CA (0.41) MAPTCASP1AURKATTKAURKB
SCHEMBL11222083 0.77 POLB (0.36) CD274PDCD1MAPTCYP1A2KDM4E
SCHEMBL31652200 0.77 CCR4 (0.41) CD274PDCD1CYP1A2KDM4EALDH1A1
SCHEMBL14612841 0.75 ALOX5AP (0.38) P2RX3P2RX2MAPTCASP1AURKA
SCHEMBL30415101 0.75 CCR4 (0.47)
SCHEMBL12726916 0.73 PDCD1 (0.41) CD274PDCD1CDK2P2RX3P2RX2
SCHEMBL24193107 0.73 PDCD1 (0.33) CD274PDCD1

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12479818-B2 Treatment of fibrosis with IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2025-11-25 US disclosed
EP-3707126-B1 IRE1 SMALL MOLECULE INHIBITORS UNIV CORNELL (US) 2025-05-14 EP disclosed
US-20240425477-A1 IRE1 SMALL MOLECULE INHIBITORS CORNELL UNIVERSITY 2024-12-26 US disclosed
US-12071424-B2 IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2024-08-27 US disclosed
CN-111566089-B IRE1 small molecule inhibitors 康奈尔大学 2023-11-17 CN disclosed
US-20230271935-A1 IRE1 SMALL MOLECULE INHIBITORS CORNELL UNIVERSITY 2023-08-31 US disclosed
US-20230271935-A1 IRE1 SMALL MOLECULE INHIBITORS CORNELL UNIVERSITY 2023-08-31 US disclosed
US-20230271935-A1 IRE1 SMALL MOLECULE INHIBITORS CORNELL UNIVERSITY 2023-08-31 US disclosed
US-11649224-B2 IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2023-05-16 US disclosed
US-11649224-B2 IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2023-05-16 US disclosed
US-10745379-B2 IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2020-08-18 US disclosed
US-10745379-B2 IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2020-08-18 US disclosed
US-20200157079-A1 IRE1 Small Molecule Inhibitors QUENTIS THERAPEUTICS, INC. (US) 2020-05-21 US disclosed
EP-3630748-A1 IRE1 SMALL MOLECULE INHIBITORS Quentis Therapeutics, Inc. (US) 2020-04-08 EP disclosed
US-20190169160-A1 IRE1 SMALL MOLECULE INHIBITORS CORNELL UNIVERSITY 2019-06-06 US disclosed
US-20190169160-A1 IRE1 SMALL MOLECULE INHIBITORS CORNELL UNIVERSITY 2019-06-06 US disclosed
US-20180346446-A1 IRE1 SMALL MOLECULE INHIBITORS CORNELL UNIVERSITY 2018-12-06 US disclosed
WO-2018222918-A1 IRE1 SMALL MOLECULE INHIBITORS QUENTIS THERAPEUTICS, INC. (US) 2018-12-06 WO disclosed
WO-2004108711-A1 PYRAZINIL QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2004-12-16 WO disclosed
WO-2004108703-A1 PYRAZINYL 3-CYANOQUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2004-12-16 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 (9 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-20230271935-A1 IRE1 SMALL MOLECULE INHIBITORS XBP1, ERN2, ERN1 CD274 2585/4885PDCD1 961/4885CDK2 2547/4885
US-20240425477-A1 IRE1 SMALL MOLECULE INHIBITORS XBP1, ERN2, ERN1 CD274 2585/4885PDCD1 961/4885CDK2 2547/4885
US-20200157079-A1 IRE1 Small Molecule Inhibitors XBP1, ERN2, ERN1 CD274 2585/4885PDCD1 961/4885CDK2 2547/4885
US-12071424-B2 IRE1 small molecule inhibitors XBP1, ERN2, ERN1 CD274 2585/4885PDCD1 961/4885CDK2 2547/4885
US-12479818-B2 Treatment of fibrosis with IRE1 small molecule inhibitors XBP1, DDIT3, HSP90B1 CD274 4182/4885PDCD1 3338/4885CDK2 3836/4885
US-11649224-B2 IRE1 small molecule inhibitors XBP1, ERN2, ERN1 CD274 2585/4885PDCD1 961/4885CDK2 2547/4885
US-20180346446-A1 IRE1 SMALL MOLECULE INHIBITORS XBP1, ERN2, ERN1 CD274 2585/4885PDCD1 961/4885CDK2 2547/4885
US-20190169160-A1 IRE1 SMALL MOLECULE INHIBITORS XBP1, ERN2, ERN1 CD274 2585/4885PDCD1 961/4885CDK2 2547/4885
US-10745379-B2 IRE1 small molecule inhibitors XBP1, ERN2, ERN1 CD274 2585/4885PDCD1 961/4885CDK2 2547/4885

“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.