SCHEMBL18918809

SCHEMBL18918809

O=C(c1cccc(-c2cnc3[nH]c(-c4ccccc4)cc3c2)n1)N1CCC(F)(F)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 3/20 0.49
KIT P10721 6/20 0.39
LANCL2 Q9NS86 1/20 0.39
DDR1 Q08345 1/20 0.38
USP2 O75604 2/20 0.38
CYP1A2 P05177 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
BRD4 O60885 1/20 0.38
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.37
DPP4 P27487 1/20 0.37
RIPK1 Q13546 2/20 0.37
SCN9A Q15858 1/20 0.37
PIK3CG P48736 1/20 0.37

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
SCHEMBL18918802 0.94 ULK1 (0.50) ULK1KITLANCL2USP2CYP1A2
SCHEMBL18918668 0.93 ULK1 (0.52) ULK1KITLANCL2BRD4RIPK1
SCHEMBL18932436 0.91 ULK1 (0.48) ULK1KITLANCL2USP2CYP1A2
SCHEMBL18918803 0.90 ULK1 (0.46) ULK1KITLANCL2USP2CYP1A2
SCHEMBL18944196 0.88 ULK1 (0.46) ULK1KITLANCL2DDR1USP2
SCHEMBL18932435 0.88 ULK1 (0.49) ULK1KITLANCL2USP2CYP1A2
SCHEMBL18944192 0.88 ULK1 (0.50) ULK1KITLANCL2USP2CYP1A2
SCHEMBL18918898 0.88 ULK1 (0.45) ULK1KITLANCL2USP2CYP1A2
SCHEMBL18932437 0.87 ULK1 (0.47) ULK1KITLANCL2USP2CYP1A2
SCHEMBL18932432 0.87 ULK1 (0.49) ULK1KITLANCL2USP2CYP1A2

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 7 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
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-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 495/4885KIT 1525/4885LANCL2 3265/4885

“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.