SCHEMBL18980404

SCHEMBL18980404

NC(=O)C1CCN(c2ccnc3nccnc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
RECQL P46063 1/20 0.46
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.45
ABL1 P00519 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
CYP3A4 P08684 2/20 0.43
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
AKT2 P31751 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PBK Q96KB5 1/20 0.42
KMT2A Q03164 2/20 0.40
NEK2 P51955 1/20 0.40
PDE10A Q9Y233 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
SCHEMBL18980089 0.87 KDM4E (0.53) KDM4EL3MBTL1LMNANPSR1CYP2C19
SCHEMBL20658609 0.82 NOTUM (0.54) KDM4ECYP2C19NEK2
SCHEMBL29722251 0.81 KDM4E (0.53) KDM4ERECQLMAPTL3MBTL1POLB
SCHEMBL23879296 0.77 CTSB (0.36) KDM4EMAPTL3MBTL1ALDH1A1AKT2
SCHEMBL18980406 0.77 ROCK2 (0.47) AKT2PBK
SCHEMBL18980017 0.77 PDE10A (0.42) PDE10APDE4D
Hydrochloric Acid SCHEMBL18980008 0.75 ROCK2 (0.46) AKT2PBK
SCHEMBL28818753 0.75 ADRB2 (0.56) KDM4ERECQLGAAALDH1A1NPSR1
SCHEMBL23095568 0.75 HRH3 (0.39) KDM4ELMNACYP1A2KMT2A
SCHEMBL19010557 0.74 ALDH1A1 (0.49) RECQLMAPTL3MBTL1POLBLMNA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-28 US disclosed
US-11629134-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2023-04-18 US disclosed
EP-3889146-A1 POLYHETEROCYCLIC TLR7/8 ANTAGONISTS AND THEIR USES FOR TREATING IMMUNE DISORDERS Merck Patent GmbH (DE) 2021-10-06 EP disclosed
EP-3889145-A1 8-CYANO-5-PIPERIDINO-QUINOLINES AS TLR7/8 ANTAGONISTS AND THEIR USES FOR TREATING IMMUNE DISORDERS Merck Patent GmbH (DE) 2021-10-06 EP disclosed
US-20210115013-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-04-22 US disclosed
US-10947213-B1 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2021-03-16 US disclosed
US-10696649-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2020-06-30 US disclosed
US-20200095222-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-03-26 US disclosed
US-10544122-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2020-01-28 US disclosed
US-20190330183-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-10-31 US disclosed
US-10399957-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2019-09-03 US disclosed
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-06-22 US 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 (10 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-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 KDM4E 1863/4885RECQL 1891/4885MAPT 4219/4885
US-20190330183-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 KDM4E 1863/4885RECQL 1891/4885MAPT 4219/4885
US-11629134-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 KDM4E 1863/4885RECQL 1891/4885MAPT 4219/4885
US-20210115013-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 KDM4E 2099/4885RECQL 1425/4885MAPT 4113/4885
US-10947213-B1 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 KDM4E 1863/4885RECQL 1891/4885MAPT 4219/4885
US-10544122-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 KDM4E 1863/4885RECQL 1891/4885MAPT 4219/4885
US-20200095222-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 KDM4E 1863/4885RECQL 1891/4885MAPT 4219/4885
US-10399957-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 KDM4E 1982/4885RECQL 1657/4885MAPT 4252/4885
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 KDM4E 1982/4885RECQL 1657/4885MAPT 4252/4885
US-10696649-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 KDM4E 1863/4885RECQL 1891/4885MAPT 4219/4885

“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.