SCHEMBL18918802

SCHEMBL18918802

O=C(c1cccc(-c2cnc3[nH]c(-c4ccccc4)cc3c2)n1)N1CCC(F)(F)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 3/20 0.50
USP2 O75604 2/20 0.41
CYP1A2 P05177 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
KIT P10721 5/20 0.41
RIPK1 Q13546 5/20 0.40
LANCL2 Q9NS86 1/20 0.40
BRD4 O60885 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
PIK3CG P48736 1/20 0.38
PIM1 P11309 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
SCHEMBL18918809 0.94 ULK1 (0.49) ULK1USP2CYP1A2SMN1; SMN2MAPK1
SCHEMBL18932435 0.91 ULK1 (0.49) ULK1USP2CYP1A2SMN1; SMN2MAPK1
SCHEMBL18918668 0.90 ULK1 (0.52) ULK1KITRIPK1LANCL2BRD4
SCHEMBL18944109 0.90 ULK1 (0.47) ULK1USP2CYP1A2SMN1; SMN2MAPK1
SCHEMBL18918859 0.89 ULK1 (0.52) ULK1SMN1; SMN2MAPK1KITRIPK1
SCHEMBL18918761 0.89 ULK1 (0.47) ULK1USP2CYP1A2SMN1; SMN2MAPK1
SCHEMBL18932436 0.89 ULK1 (0.48) ULK1USP2CYP1A2SMN1; SMN2MAPK1
SCHEMBL18918803 0.88 ULK1 (0.46) ULK1USP2CYP1A2SMN1; SMN2MAPK1
SCHEMBL18918933 0.87 RIPK1 (0.53) ULK1KITRIPK1LANCL2BRD4
SCHEMBL23902998 0.87 ULK1 (0.47) ULK1USP2CYP1A2SMN1; SMN2MAPK1

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
US-9938273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2018-04-10 US claimed
US-20170158690-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-06-08 US claimed
EP-3386980-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2021-10-13 EP disclosed
EP-3386980-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon Inc. (US) 2018-10-17 EP disclosed
US-9938273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2018-04-10 US disclosed
US-9938273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2018-04-10 US disclosed
US-9938273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2018-04-10 US disclosed
WO-2017100201-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2017-06-15 WO disclosed
US-20170158690-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-06-08 US disclosed
US-20170158690-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-06-08 US disclosed
US-20170158690-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-06-08 US 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 (1 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-20170158690-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K11, MAP3K13, WEE2 ULK1 495/4885USP2 3929/4885CYP1A2 4727/4885

“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.