SCHEMBL20712736

SCHEMBL20712736

CC(C)(C)c1ccnc2cc[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
DYRK1A Q13627 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.31
KDM5A P29375 1/20 0.30
KDM5B Q9UGL1 1/20 0.30
KIF11 P52732 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
SCHEMBL21334960 0.74 MAPK1 (0.38) MAPK1DYRK1AKDM5AKDM5B
SCHEMBL22792809 0.74 DYRK1A (0.38) MAPK1DYRK1A
SCHEMBL1473042 0.74 MAPK1 (0.45) MAPK1DYRK1AIRAK4
SCHEMBL30167002 0.74 MAPK1 (0.45) MAPK1DYRK1AIRAK4
SCHEMBL9379898 0.73 DYRK1A (0.41) MAPK1DYRK1A
SCHEMBL26661980 0.72 HTT (0.37)
SCHEMBL23920271 0.70 DYRK1A (0.31) DYRK1A
SCHEMBL21335020 0.70 MAPK1 (0.38) MAPK1DYRK1A
SCHEMBL2628882 0.69 MAPK1 (0.45) MAPK1DYRK1A
SCHEMBL24348992 0.69 MAPK1 (0.45) MAPK1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230339900-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US disclosed
US-20230339970-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US disclosed
US-20230322721-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS UNIVERSITY OF OULU (FI) 2023-10-12 US disclosed
US-20230128198-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS AURORA A SELECTIVE INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD (CN) 2023-04-27 US disclosed
US-20230128198-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS AURORA A SELECTIVE INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD (CN) 2023-04-27 US disclosed
US-11384066-B1 Heterocyclic compounds useful as aurora a selective inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-07-12 US disclosed
US-11208411-B2 Compositions and methods for treating parasitic diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-12-28 US disclosed
WO-2021147974-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS AURORA A SELECTIVE INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2021-07-29 WO disclosed
US-20200291030-A1 COMPOSITIONS AND METHODS FOR TREATING PARASITIC DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-09-17 US disclosed
US-20200062776-A1 HEDGEHOG ACYLTRANSFERASE INHIBITORS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2020-02-27 US disclosed
US-10246469-B2 Biaryl kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-02 US disclosed
US-20190040080-A1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-02-07 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 (11 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-20190040080-A1 BIARYL KINASE INHIBITORS AAK1, CAMKK1, CAMKK2 MAPK1 385/4885DYRK1A 382/4885IRAK4 701/4885
US-20230339900-A1 CASEIN KINASE 1 DELTA MODULATORS CSNK1D, CSNK1A1, CSNK2A1 MAPK1 234/4885DYRK1A 311/4885IRAK4 596/4885
US-11384066-B1 Heterocyclic compounds useful as aurora a selective inhibitors AURKA, AURKC, AURKB MAPK1 809/4885DYRK1A 1164/4885IRAK4 2639/4885
US-10246469-B2 Biaryl kinase inhibitors AAK1, CAMKK1, CAMKK2 MAPK1 385/4885DYRK1A 382/4885IRAK4 701/4885
US-20230322721-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS CBR3, GBA3, TECR MAPK1 1823/4885DYRK1A 815/4885IRAK4 4021/4885
US-20200291030-A1 COMPOSITIONS AND METHODS FOR TREATING PARASITIC DISEASES LIPA, LSS, LIPC MAPK1 4788/4885DYRK1A 3323/4885IRAK4 2988/4885
US-20230339970-A1 CASEIN KINASE 1 DELTA MODULATORS CSNK1D, CSNK1A1, CSNK1G1 MAPK1 253/4885DYRK1A 543/4885IRAK4 598/4885
US-11208411-B2 Compositions and methods for treating parasitic diseases LIPA, LSS, LIPC MAPK1 4788/4885DYRK1A 3323/4885IRAK4 2988/4885
US-20230128198-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS AURORA A SELECTIVE INHIBITORS AURKA, AURKC, AURKB MAPK1 585/4885DYRK1A 899/4885IRAK4 2048/4885
US-20200062776-A1 HEDGEHOG ACYLTRANSFERASE INHIBITORS AND USES THEREOF HHAT, SHH, MBOAT1 MAPK1 1398/4885DYRK1A 4777/4885IRAK4 3260/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP MAPK1 4389/4885DYRK1A 2576/4885IRAK4 1827/4885

“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.