SCHEMBL20116762

SCHEMBL20116762

CC(C)n1ncc2ccc(-c3noc(C4CCN(C(=O)CNC(=O)c5ccc(C#N)cc5)CC4(F)F)n3)cc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIT P10721 6/20 0.38
GRM5 P41594 1/20 0.37
TNF P01375 2/20 0.36
IRAK4 Q9NWZ3 2/20 0.36
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PTGER3 P43115 1/20 0.34
PREP P48147 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
TSHR P16473 1/20 0.33
CPT1A P50416 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL20116358 0.93 KIT (0.36) KITGRM5TNFIRAK4MAPT
SCHEMBL20116818 0.92 SMN1; SMN2 (0.40) KITGRM5LMNASMN1; SMN2PTGER3
SCHEMBL20116362 0.91 MAPT (0.37) KITGRM5LMNASMN1; SMN2PTGER3
SCHEMBL20116100 0.91 LDHA (0.41) KITGRM5LMNASMN1; SMN2TSHR
SCHEMBL20117070 0.87 GRM5 (0.40) GRM5
SCHEMBL20116694 0.87 GRM5 (0.36) KITGRM5LMNASMN1; SMN2PTGER3
SCHEMBL20116348 0.87 GRM5 (0.41) GRM5
SCHEMBL20116453 0.85 HDAC8 (0.37) KITGRM5LMNASMN1; SMN2PTGER3
SCHEMBL20116363 0.85 SMO (0.37) KITSMN1; SMN2HTTTSHR
SCHEMBL20116270 0.83 GRM5 (0.39) KITGRM5LMNASMN1; SMN2PREP

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 4491/4885GRM5 68/4885TNF 2408/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 KIT 4491/4885GRM5 68/4885TNF 2408/4885

“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.