SCHEMBL18790802

SCHEMBL18790802

O[C@H]1CCNC[C@@H]1/N=C/c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.40
GRIN3B O60391 2/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 0.40
GRIN2B Q13224 2/20 0.40
GRIN2C Q14957 2/20 0.40
GRIN3A Q8TCU5 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTR2A P28223 1/20 0.36
F2 P00734 1/20 0.35
LMNA P02545 1/20 0.35
GCGR P47871 1/20 0.34

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
SCHEMBL16681382 0.76 KDM4E (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16681384 0.76 KDM4E (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL16681286 0.75 KDM4E (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL16681287 0.75 KDM4E (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6919698 0.75 L3MBTL1 (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6042859 0.66 KDM1A (0.47) HTR2ASLC6A2SLC6A4SLC6A3SLC18A3
SCHEMBL11231729 0.66 SLC6A2 (0.45) L3MBTL1MEN1KMT2AHTR2ASLC6A2
SCHEMBL11242027 0.66 SLC6A2 (0.45) L3MBTL1MEN1KMT2AHTR2ASLC6A2
SCHEMBL11231725 0.66 SLC6A2 (0.45) L3MBTL1MEN1KMT2AHTR2ASLC6A2
SCHEMBL11231736 0.66 SLC6A2 (0.45) L3MBTL1MEN1KMT2AHTR2ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10189817-B2 Inhibitors of Bruton's tyrosine kinase BIOGEN MA INC. (US) 2019-01-29 US disclosed
US-20170114039-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN IDEC MA INC. 2017-04-27 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 (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-20170114039-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN GRIN2D 4446/4885GRIN3B 2813/4885GRIN1 3095/4885
US-10189817-B2 Inhibitors of Bruton's tyrosine kinase ABL1, BTK, LYN GRIN2D 4446/4885GRIN3B 2813/4885GRIN1 3095/4885

“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.