SCHEMBL792020

SCHEMBL792020

CN(C)c1ccc(N)cc1CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.43
ACHE P22303 3/20 0.42
GAA P10253 3/20 0.39
MAPK1 P28482 3/20 0.39
MAPT P10636 2/20 0.39
CHEK1 O14757 1/20 0.38
NEK2 P51955 1/20 0.38
LIMK1 P53667 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
APP P05067 3/20 0.33
TSHR P16473 2/20 0.33
CASP1 P29466 2/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL4532794 0.82 SLC6A4 (0.47) PRKCIACHEGAAMAPK1MAPT
SCHEMBL21741565 0.82 PRKCI (0.40) PRKCIACHEGAAMAPK1MAPT
SCHEMBL150471 0.82 PRKCI (0.44) PRKCIACHEGAAMAPK1MAPT
SCHEMBL30966776 0.79 RXRA (0.39) GAAMAPK1MAPTCHEK1NEK2
SCHEMBL12427116 0.77 GAA (0.39) PRKCIACHEGAAMAPK1MAPT
SCHEMBL27404729 0.77 MAPT (0.41) PRKCIACHEGAAMAPK1MAPT
SCHEMBL6971932 0.75 MAPT (0.40) PRKCIACHEGAAMAPK1MAPT
SCHEMBL792483 0.74 PRKCI (0.39) PRKCIACHEGAAMAPK1MAPT
SCHEMBL11811790 0.73 CYP3A4 (0.46) ACHEGAAMAPK1MAPTCHEK1
SCHEMBL13183889 0.73 PRKCI (0.42) PRKCIACHEGAAMAPK1MAPT

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
CN-115197221-B Dihydropyrazolopyrimidinone macrocyclic derivatives and their use 轩竹(北京)医药科技有限公司 2024-05-24 CN disclosed
CN-115197221-A Dihydropyrazolopyrimidinone macrocyclic derivatives and application thereof 轩竹生物科技股份有限公司 2022-10-18 CN disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 PRKCI 1180/4885ACHE 3981/4885GAA 374/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI PRKCI 1580/4885ACHE 3754/4885GAA 451/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI PRKCI 1580/4885ACHE 3754/4885GAA 451/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PRKCI 1180/4885ACHE 3981/4885GAA 374/4885

“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.