SCHEMBL20116783

SCHEMBL20116783

CC(C)n1ncc2ccc(-c3nc(C4CCN(C(=O)c5ccccn5)CC4)no3)cc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
HTR4 Q13639 3/20 0.41
SCD5 Q86SK9 3/20 0.40
USP30 Q70CQ3 2/20 0.40
EGLN1 Q9GZT9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SCD O00767 1/20 0.39
USP7 Q93009 1/20 0.39
KIT P10721 1/20 0.38
CYP2D6 P10635 1/20 0.38
KCNH2 Q12809 1/20 0.38
MGLL Q99685 1/20 0.37
IRAK4 Q9NWZ3 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
SCHEMBL20116073 0.91 SMN1; SMN2 (0.41) SMN1; SMN2HTR4SCD5USP30USP7
SCHEMBL20116225 0.87 SMN1; SMN2 (0.41) SMN1; SMN2HTR4USP30USP7KIT
SCHEMBL20116070 0.87 USP30 (0.39) SMN1; SMN2HTR4SCD5USP30USP7
SCHEMBL22358275 0.85 SMN1; SMN2 (0.48) SMN1; SMN2CYP2D6KCNH2
SCHEMBL22358562 0.85 HSD11B1 (0.49) SMN1; SMN2HTR4USP30EGLN1USP7
SCHEMBL20116779 0.84 RAB9A (0.44) SMN1; SMN2SCD5EGLN1L3MBTL1KCNH2
SCHEMBL20116787 0.83 SMN1; SMN2 (0.45) SMN1; SMN2HTR4USP30USP7MGLL
SCHEMBL20116506 0.83 SMO (0.42) SMN1; SMN2HTR4USP30USP7KIT
SCHEMBL20116895 0.82 FASN (0.46) SMN1; SMN2HTR4USP30USP7CYP2D6
SCHEMBL20117082 0.81 TBK1 (0.44) SMN1; SMN2HTR4USP30USP7CYP2D6

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 SMN1; SMN2 13/4885HTR4 482/4885SCD5 1575/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 SMN1; SMN2 13/4885HTR4 482/4885SCD5 1575/4885

“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.