SCHEMBL20116779

SCHEMBL20116779

CC(C)n1ncc2ccc(-c3nc(C4CCN(C(=O)c5cccc(F)c5)CC4)no3)cc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
UBE2M P61081 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.43
GRM5 P41594 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
KCNH2 Q12809 1/20 0.40
TPSAB1 Q15661 1/20 0.40
SCD5 Q86SK9 1/20 0.40
HSD11B1 P28845 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
ABL1 P00519 2/20 0.40
BCR P11274 2/20 0.40

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
SCHEMBL22357867 0.87 RAB9A (0.56) RAB9AALDH1A1GRM5SMN1; SMN2L3MBTL1
SCHEMBL20116787 0.87 SMN1; SMN2 (0.45) RAB9AGRM5SMN1; SMN2HSD11B1
SCHEMBL20116073 0.86 SMN1; SMN2 (0.41) SMN1; SMN2KCNH2SCD5HSD11B1
SCHEMBL20116070 0.85 USP30 (0.39) RAB9AALDH1A1SMN1; SMN2KCNH2SCD5
SCHEMBL20116783 0.84 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1KCNH2SCD5EGLN1
SCHEMBL22358562 0.84 HSD11B1 (0.49) RAB9AALDH1A1GAAUBE2MDCUN1D1
SCHEMBL20116506 0.83 SMO (0.42) RAB9AALDH1A1SMN1; SMN2KCNH2
SCHEMBL20116225 0.82 SMN1; SMN2 (0.41) SMN1; SMN2KCNH2HSD11B1
SCHEMBL20116895 0.82 FASN (0.46) RAB9AALDH1A1SMN1; SMN2KCNH2
SCHEMBL20117082 0.81 TBK1 (0.44) ALDH1A1SMN1; SMN2CYP2C9CYP2C19KCNH2

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 RAB9A 2129/4885ALDH1A1 656/4885GAA 67/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 RAB9A 2129/4885ALDH1A1 656/4885GAA 67/4885

“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.