SCHEMBL17012840

SCHEMBL17012840

Brc1nn(C2CCCCC2)nc1Br

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.38
ADORA3 P0DMS8 1/20 0.32
ADORA1 P30542 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PSMB8 P28062 1/20 0.30
PSMB9 P28065 1/20 0.30
PSMB5 P28074 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
SCHEMBL15242977 0.97 ADORA2A (0.39) ADORA2AADORA3ADORA1
SCHEMBL20899905 0.87
SCHEMBL16856751 0.82 ADORA2A (0.34) ADORA2A
SCHEMBL15242999 0.76 CCNC (0.31)
SCHEMBL17012839 0.76 PSMB8 (0.37) ADORA2AADORA3ADORA1ALDH1A1SMN1; SMN2
SCHEMBL15506668 0.73 ADORA2A (0.37) ADORA2ARAB9A
SCHEMBL16856700 0.65 CHRM5 (0.41) SMN1; SMN2NPC1RAB9A
SCHEMBL20816387 0.64 TSHR (0.33) ADORA2AALDH1A1
SCHEMBL20816370 0.64 TSHR (0.33) ADORA2AALDH1A1SMN1; SMN2
SCHEMBL15706621 0.64 ALDH1A1 (0.36) ADORA2AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180215766-A1 TETRAHYDROQUINOLINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS, INC. 2018-08-02 US disclosed
US-20160256448-A1 TETRAHYDROQUINOLINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS, INC. 2016-09-08 US disclosed
US-20160257692-A1 TETRAHYDROQUINOLINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS, INC. 2016-09-08 US disclosed
US-9388161-B2 Tetrahydroquinoline compositions as BET bromodomain inhibitors FORMA THERAPEUTICS, INC. (US) 2016-07-12 US disclosed
US-20150232445-A1 TETRAHYDROQUINOLINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS, INC. 2015-08-20 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 (4 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-20160256448-A1 TETRAHYDROQUINOLINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 ADORA2A 4120/4885ADORA3 2964/4885ADORA1 3026/4885
US-20180215766-A1 TETRAHYDROQUINOLINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 ADORA2A 4120/4885ADORA3 2964/4885ADORA1 3026/4885
US-20150232445-A1 TETRAHYDROQUINOLINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 ADORA2A 4120/4885ADORA3 2964/4885ADORA1 3026/4885
US-20160257692-A1 TETRAHYDROQUINOLINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 ADORA2A 4120/4885ADORA3 2964/4885ADORA1 3026/4885

“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.