SCHEMBL21201584

SCHEMBL21201584

CNCc1cc(C(C)C)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 1/20 0.38
▸ CSNK1D P48730 1/20 0.38
▸ CSNK1E P49674 1/20 0.38
▸ MAPK12 P53778 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ MAPK11 Q15759 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ NPC1 O15118 3/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ JAK2 O60674 2/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ RXRA P19793 2/20 0.34
▸ GRIN1 Q05586 2/20 0.34
▸ GRIN2B Q13224 2/20 0.34
▸ RAB9A P51151 2/20 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
SCHEMBL21652549 0.87 MAPK13 (0.40) MAPK13CSNK1DCSNK1EMAPK12KCNH2
SCHEMBL23015680 0.84 BACE1 (0.37) BACE1ALDH1A1NPC1JAK2RXRA
SCHEMBL22148818 0.82 MAPK13 (0.34) MAPK13CSNK1DCSNK1EMAPK12KCNH2
SCHEMBL11994370 0.79 CYP1A2 (0.46) BACE1ALDH1A1CYP3A4JAK2RXRA
SCHEMBL5108681 0.77 JAK2 (0.46) CSNK1DCSNK1EBACE1ALDH1A1NPC1
SCHEMBL21705891 0.77 RXRA (0.35) BACE1ALDH1A1NPC1JAK2RXRA
SCHEMBL12120617 0.77 RXRA (0.35) BACE1ALDH1A1NPC1CYP2C19JAK2
SCHEMBL3507581 0.77 TLR9 (0.38) BACE1ALDH1A1NPC1CYP3A4JAK2
SCHEMBL18542888 0.77 RXRA (0.35) BACE1ALDH1A1NPC1JAK2RXRA
SCHEMBL13561354 0.76 HTR2B (0.43) ALDH1A1RAB9ATAAR1HTR2CSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230138480-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-04 — — US disclosed
US-11198691-B2 N-((het)arylmethyl)-heteroaryl-carboxamides compounds as kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-12-14 — — US disclosed
US-11084809-B2 N-((HET)arylmethyl)-heteroaryl-carboxamides compounds as kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-08-10 — — US disclosed
US-11001578-B2 N-((HET)arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-05-11 — — US disclosed
US-10927106-B2 Benzothiazole derivatives as DYRK1 inhibitors PHARMASUM THERAPEUTICS AS (NO) 2021-02-23 — — US disclosed
US-20210038611-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2021-02-11 — — US disclosed
US-20200361923-A1 N-((HET)Arylmethyl)-Heteroaryl-Carboxamides Compounds As Kallikrein Inhibitors DRI UK LP (KY) 2020-11-19 — — US disclosed
US-20200199116-A1 N-((HET)Arylmethyl)-Heteroaryl-Carboxamides Compounds As Kallikrein Inhibitors DRI UK LP (KY) 2020-06-25 — — US disclosed
US-20190330200-A1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS KALLIKREIN INHIBITORS DRI UK LP (KY) 2019-10-31 — — US disclosed
US-10364238-B2 N-((het) arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2019-07-30 — — 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-10927106-B2 Benzothiazole derivatives as DYRK1 inhibitors DYRK1A, DYRK1B, PDK2 MAPK13 519/4885CSNK1D 436/4885CSNK1E 107/4885
US-20230138480-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB MAPK13 3306/4885CSNK1D 1821/4885CSNK1E 1477/4885
US-20200199116-A1 N-((HET)Arylmethyl)-Heteroaryl-Carboxamides Compounds As Kallikrein Inhibitors KLKB1, BDKRB1, BDKRB2 MAPK13 2431/4885CSNK1D 838/4885CSNK1E 804/4885
US-10364238-B2 N-((het) arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 MAPK13 2378/4885CSNK1D 856/4885CSNK1E 859/4885
US-11198691-B2 N-((het)arylmethyl)-heteroaryl-carboxamides compounds as kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 MAPK13 2431/4885CSNK1D 838/4885CSNK1E 804/4885
US-20210038611-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB MAPK13 3306/4885CSNK1D 1821/4885CSNK1E 1477/4885
US-20200361923-A1 N-((HET)Arylmethyl)-Heteroaryl-Carboxamides Compounds As Kallikrein Inhibitors KLKB1, BDKRB1, BDKRB2 MAPK13 2431/4885CSNK1D 838/4885CSNK1E 804/4885
US-20190330200-A1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS KALLIKREIN INHIBITORS KLKB1, BDKRB1, BDKRB2 MAPK13 2431/4885CSNK1D 838/4885CSNK1E 804/4885
US-11001578-B2 N-((HET)arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 MAPK13 2360/4885CSNK1D 896/4885CSNK1E 973/4885
US-11084809-B2 N-((HET)arylmethyl)-heteroaryl-carboxamides compounds as kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 MAPK13 2431/4885CSNK1D 838/4885CSNK1E 804/4885

“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.

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