SCHEMBL17873448

SCHEMBL17873448

N#CCc1cccc(-c2ccc(Cl)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.45
PTGS2 P35354 2/20 0.40
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
KDM4E B2RXH2 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SQOR Q9Y6N5 1/20 0.37
MAPT P10636 3/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABL1 P00519 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ERBB2 P04626 1/20 0.36

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
SCHEMBL8302961 0.84 RAB9A (0.54) IRAK4ADORA2AADORA1L3MBTL1MEN1
SCHEMBL4592241 0.79 GFER (0.47) L3MBTL1MEN1KMT2AKDM4EMAPT
SCHEMBL9009001 0.77 NOTUM (0.45) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL2759538 0.77 CNR2 (0.43) IRAK4L3MBTL1MEN1KMT2AKDM4E
SCHEMBL6550571 0.75 RAB9A (0.59) L3MBTL1MEN1KMT2AKDM4EMAPT
SCHEMBL1426671 0.75 MEN1 (0.50) IRAK4MEN1KMT2AKDM4ENPSR1
SCHEMBL29705749 0.74 MAPT (0.43) IRAK4L3MBTL1MEN1KMT2AKDM4E
SCHEMBL990220 0.74 MAPT (0.43) IRAK4L3MBTL1MEN1KMT2AKDM4E
SCHEMBL27901818 0.74 CTSS (0.51) IRAK4ADORA2AADORA1L3MBTL1MEN1
SCHEMBL22169127 0.72 TRPV3 (0.48) PTGS2L3MBTL1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3237385-B1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER US HEALTH (US) 2021-11-24 EP disclosed
EP-3237385-B1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER US HEALTH (US) 2021-11-24 EP disclosed
CN-107428690-B Mutant IDH1 inhibitors useful for the treatment of cancer 美国政府健康及人类服务部 2021-04-13 CN disclosed
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-07-07 US disclosed
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-07-07 US disclosed
US-20190071434-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER THE USA AS REPRESENTED BY THE SEC DEP OF HEALTH AND HUMAN SERVICES (US) 2019-03-07 US disclosed
US-20190071434-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER THE USA AS REPRESENTED BY THE SEC DEP OF HEALTH AND HUMAN SERVICES (US) 2019-03-07 US disclosed
EP-3237385-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER The United States of America, as represented by The Secretary, Department of Health and Human Services (US) 2017-11-01 EP disclosed
WO-2016106331-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER THE UNITED STATES OF AMERICA (US) 2016-06-30 WO disclosed
WO-2016106331-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER THE UNITED STATES OF AMERICA (US) 2016-06-30 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-20190071434-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER IDH1, IDH3B, IDH3A IRAK4 3380/4885PTGS2 2443/4885ADORA2A 4546/4885
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer IDH1, IDH3B, IDH3A IRAK4 3380/4885PTGS2 2443/4885ADORA2A 4546/4885

“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.