SCHEMBL14976213

SCHEMBL14976213

Clc1ncc(Br)c(C#Cc2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.42
APP P05067 1/20 0.40
ADORA2A P29274 1/20 0.39
GRM5 P41594 7/20 0.39
ADK P55263 1/20 0.38
CDK2 P24941 1/20 0.36
GRM4 Q14833 1/20 0.36
PIN1 Q13526 1/20 0.35
PLAU P00749 1/20 0.35
PLAT P00750 1/20 0.35
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL30107573 0.80 MAPT (0.43) FFAR1APPADORA2AGRM5ADK
SCHEMBL17714326 0.80 ADK (0.44) FFAR1APPADORA2AGRM5ADK
SCHEMBL24047399 0.80 MAPT (0.43) FFAR1APPADORA2AGRM5ADK
SCHEMBL13516538 0.74 GRM5 (0.61) FFAR1APPADORA2AGRM5ADK
SCHEMBL17714323 0.72 FFAR1 (0.39) FFAR1APPADORA2AGRM5ADK
SCHEMBL14422883 0.72 KDM4E (0.52) ADORA2APIN1ABL1BCRKDM4E
SCHEMBL28927186 0.71 FFAR1 (0.41) FFAR1GRM5ADKGRM4PLAU
SCHEMBL30107567 0.71 FFAR1 (0.41) FFAR1GRM5ADKGRM4PLAU
SCHEMBL3442581 0.70 GRM5 (0.43) FFAR1GRM5ABL1BCRALDH1A1
SCHEMBL15206758 0.69 MAPT (0.44) APPADORA2AGRM5ADKGRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3212652-B1 RIPK2 INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK (CA) 2021-02-17 EP disclosed
EP-3212652-B1 RIPK2 INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK (CA) 2021-02-17 EP disclosed
US-10875863-B2 RIPK2 inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2020-12-29 US disclosed
CN-107454899-B RIPK2 inhibitors and methods of treating cancer therewith 大学健康网络 2020-05-29 CN disclosed
US-20190225617-A1 RIPK2 INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2019-07-25 US disclosed
US-10239881-B2 RIPK2 inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2019-03-26 US disclosed
US-20180282335-A1 RIPK2 INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2018-10-04 US disclosed
EP-3212652-A1 RIPK2 INHIBITORS AND METHOD OF TREATING CANCER WITH SAME University Health Network (CA) 2017-09-06 EP disclosed
WO-2016065461-A1 RIPK2 INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2016-05-06 WO disclosed
WO-2016065461-A1 RIPK2 INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2016-05-06 WO disclosed
WO-2013078254-A1 BICYCLIC HETEROARYL DERIVATIVES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2013-05-30 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 (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-20180282335-A1 RIPK2 INHIBITORS AND METHOD OF TREATING CANCER WITH SAME RIPK2, RIPK1, RIPK4 FFAR1 3130/4885APP 4706/4885ADORA2A 3475/4885
US-10875863-B2 RIPK2 inhibitors and method of treating cancer with same RIPK2, RIPK1, RIPK4 FFAR1 3224/4885APP 4715/4885ADORA2A 3767/4885
US-10239881-B2 RIPK2 inhibitors and method of treating cancer with same RIPK2, RIPK1, RIPK4 FFAR1 3130/4885APP 4706/4885ADORA2A 3475/4885
US-20190225617-A1 RIPK2 INHIBITORS AND METHOD OF TREATING CANCER WITH SAME RIPK2, RIPK1, RIPK4 FFAR1 3224/4885APP 4715/4885ADORA2A 3767/4885

“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.