SCHEMBL20116366

SCHEMBL20116366

CC(C)n1ncc2ccc(-c3noc(N4CCN(C(=O)c5cccc(F)c5)CC4)n3)cc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.44
RAB9A P51151 1/20 0.44
ABL1 P00519 2/20 0.43
BCR P11274 2/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
S1PR1 P21453 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 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
SCHEMBL22358261 0.90 HDAC4 (0.43) ALDH1A1SMN1; SMN2L3MBTL1TP53MAPT
SCHEMBL22358256 0.85 MAPT (0.46) GRM5TP53MAPTHTT
SCHEMBL22357867 0.85 RAB9A (0.56) GRM5RAB9AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL22357995 0.84 MAPT (0.42) RAB9AALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL22358259 0.82 MAPT (0.51) ALDH1A1SMN1; SMN2TP53MAPTHTT
SCHEMBL20117123 0.81 MAPT (0.61) ALDH1A1SMN1; SMN2TP53MAPTHTT
SCHEMBL22357905 0.80 MAPT (0.42) ALDH1A1SMN1; SMN2TP53MAPTHTT
SCHEMBL22357990 0.80 MAPT (0.46) TP53MAPTHTT
SCHEMBL20116404 0.80 MAPT (0.46) ALDH1A1SMN1; SMN2TP53MAPTHTT
SCHEMBL20116779 0.80 RAB9A (0.44) GRM5RAB9AABL1BCRALDH1A1

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 GRM5 68/4885RAB9A 2129/4885ABL1 1800/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 GRM5 68/4885RAB9A 2129/4885ABL1 1800/4885

“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.