SCHEMBL20117082

SCHEMBL20117082

CC(C)n1ncc2ccc(-c3nc(C4CCN(C(=O)CC5CC5)CC4)no3)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 2/20 0.44
HTR4 Q13639 3/20 0.42
USP7 Q93009 1/20 0.41
USP30 Q70CQ3 2/20 0.41
HTT P42858 2/20 0.39
CYP2D6 P10635 1/20 0.38
KCNH2 Q12809 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
PTGER3 P43115 1/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
IKBKE Q14164 1/20 0.37
KMT2A Q03164 1/20 0.36
NR1H4 Q96RI1 1/20 0.36

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
SCHEMBL22358288 0.89 USP7 (0.40) TBK1HTR4USP7USP30HTT
SCHEMBL20116372 0.87 HTR4 (0.39) TBK1HTR4USP7USP30HTT
SCHEMBL22357947 0.86 HTR4 (0.39) HTR4USP7USP30HTTCYP2D6
SCHEMBL20116238 0.86 S1PR1 (0.38) TBK1USP30PTGER3ALDH1A1IKBKE
SCHEMBL20116506 0.86 SMO (0.42) TBK1HTR4USP7USP30HTT
SCHEMBL20116895 0.85 FASN (0.46) HTR4USP7USP30HTTCYP2D6
SCHEMBL22358169 0.84 LMNA (0.52) HTTSMN1; SMN2LMNAALDH1A1POLB
SCHEMBL20116368 0.84 USP30 (0.42) HTR4USP7USP30HTTSMN1; SMN2
SCHEMBL20676310 0.83 TBK1 (0.47) TBK1USP7USP30HTTSMN1; SMN2
SCHEMBL22358472 0.83 USP30 (0.48) TBK1USP7USP30HTTSMN1; SMN2

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 TBK1 3534/4885HTR4 482/4885USP7 4265/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 TBK1 3534/4885HTR4 482/4885USP7 4265/4885

“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.