SCHEMBL20116358

SCHEMBL20116358

CC(C)n1ncc2ccc(-c3noc(C4CCN(C(=O)CNC(=O)c5cccc(C#N)c5)CC4(F)F)n3)cc21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIT P10721 4/20 0.36
RORC P51449 3/20 0.35
GRM5 P41594 2/20 0.35
TNF P01375 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
GPR139 Q6DWJ6 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
S1PR3 Q99500 1/20 0.34
MAPT P10636 1/20 0.34
TEC P42680 1/20 0.34
TXK P42681 1/20 0.34
BTK Q06187 1/20 0.34
ITK Q08881 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
SCHEMBL20116762 0.93 KIT (0.38) KITGRM5TNFIRAK4HRH3
SCHEMBL20117070 0.91 GRM5 (0.40) GRM5
SCHEMBL20116100 0.91 LDHA (0.41) KITGRM5
SCHEMBL20116348 0.90 GRM5 (0.41) GRM5
SCHEMBL20117068 0.89 RORC (0.41) RORC
SCHEMBL20116818 0.88 SMN1; SMN2 (0.40) KITGRM5MAPT
SCHEMBL20116362 0.87 MAPT (0.37) KITGRM5MAPT
SCHEMBL22358382 0.86 PTGER3 (0.33) GRM5
SCHEMBL20116694 0.85 GRM5 (0.36) KITGRM5
SCHEMBL20116272 0.84 GRM5 (0.36) KITRORCGRM5HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 KIT 4491/4885RORC 1361/4885GRM5 68/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 KIT 4491/4885RORC 1361/4885GRM5 68/4885

“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.