SCHEMBL19399263

SCHEMBL19399263

CC1(c2cnccn2)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.36
KIF11 P52732 1/20 0.35
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NAPRT Q6XQN6 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
VNN1 O95497 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
BAZ2B Q9UIF8 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
TSHR P16473 1/20 0.30
MC4R P32245 1/20 0.30
ADRA1A P35348 1/20 0.30
MC3R P41968 1/20 0.30

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
SCHEMBL20508939 0.91 HSP90AA1 (0.33) HSP90AA1KIF11LMNAVNN1
SCHEMBL11638424 0.85 KIF11 (0.31) KIF11
SCHEMBL24087839 0.74 HSP90AA1 (0.33) HSP90AA1KIF11NISCH
SCHEMBL122394 0.74 KIF11 (0.36) HSP90AA1KIF11
SCHEMBL28127324 0.73 HSP90AA1 (0.36) HSP90AA1KDM4ENAPRTHCAR2VNN1
SCHEMBL2143043 0.73 HSP90AA1 (0.41) HSP90AA1KDM4ENAPRTHCAR2VNN1
SCHEMBL28042507 0.73 HSP90AA1 (0.36) HSP90AA1KDM4ENAPRTHCAR2VNN1
SCHEMBL1828930 0.72 KIF11 (0.35) HSP90AA1KIF11KDM4ENAPRTHCAR2
SCHEMBL19398566 0.72 LMNA (0.36) HSP90AA1KIF11LMNAKDM4EADORA3
SCHEMBL12310389 0.72 VNN1 (0.39) HSP90AA1KIF11LMNAKDM4EVNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192901-A9 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-14 WO disclosed
WO-2023192901-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-05 WO disclosed
EP-3433234-B1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME (US) 2021-10-27 EP disclosed
US-10308615-B2 Heterocyclic compounds as inhibitors of Vanin-1 enzyme PFIZER INC. (US) 2019-06-04 US disclosed
US-20180148420-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME PFIZER INC. (US) 2018-05-31 US disclosed
US-9840481-B2 Allosteric modulators of nicotinic acetylcholine receptors MERCK SHARP & DOHME CORP. (US) 2017-12-12 US disclosed
US-20170275260-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2017-09-28 US disclosed
WO-2017165256-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2017-09-28 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 (3 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-10308615-B2 Heterocyclic compounds as inhibitors of Vanin-1 enzyme VNN1, MVD, VAT1 HSP90AA1 2507/4885KIF11 4824/4885LMNA 4540/4885
US-20180148420-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME VNN1, CMA1, VAT1 HSP90AA1 2376/4885KIF11 4737/4885LMNA 4494/4885
US-20170275260-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA5, CHRNA6 HSP90AA1 3833/4885KIF11 4023/4885LMNA 4726/4885

“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.