SCHEMBL20116901

SCHEMBL20116901

CNC(=O)c1nc(-c2ccc3c(C)nn(C)c3c2)no1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.44
SCD5 Q86SK9 2/20 0.41
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL22358376 0.79 L3MBTL1 (0.51) PLK1SCD5HTTLMNA
SCHEMBL20116399 0.78 ADORA2A (0.44) SCD5MAPTTP53
SCHEMBL30506320 0.78 ADORA2A (0.44) SCD5MAPTTP53
SCHEMBL20676714 0.77 SMN1; SMN2 (0.40) SCD5KMT2ALMNAMAPTTP53
SCHEMBL20116899 0.76 ADORA2A (0.40) SCD5KDM4EMAPTTP53
SCHEMBL20116851 0.74 KIT (0.43) SCD5HTTKMT2A
SCHEMBL22358004 0.74 MAPK1 (0.51) KDM4EHTTPOLBKMT2ALMNA
SCHEMBL22358240 0.74 SMO (0.51) SCD5KDM4EHTTKMT2ALMNA
SCHEMBL22358307 0.73 MAPT (0.47) SCD5GAAKDM4EHTTKMT2A
SCHEMBL20117069 0.73 KIT (0.45) SCD5KDM4EHTTKMT2A

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 PLK1 1137/4885SCD5 1575/4885GAA 67/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 PLK1 1137/4885SCD5 1575/4885GAA 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.