SCHEMBL20198717

SCHEMBL20198717

CC(C)(C)c1nc(N)nc(N)n1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.50
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 1/20 0.37
HSP90AA1 P07900 2/20 0.34
CASP1 P29466 1/20 0.33
PIK3CG P48736 1/20 0.31
HSP90AB1 P08238 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
SCHEMBL28120669 0.94 HRH4 (0.50) HRH4KDM4EGAAMAPTNPC1
SCHEMBL20198718 0.84 HRH4 (0.44) HRH4KDM4EGAAMAPTNPC1
SCHEMBL20502388 0.82 HRH4 (0.43) HRH4KDM4EGAAMAPTNPC1
SCHEMBL30171140 0.81 L3MBTL1 (0.39) HRH4KDM4EGAAMAPTNPC1
SCHEMBL25724034 0.80 HSD17B10 (0.43) HRH4KDM4EGAAMAPTRAB9A
SCHEMBL31192704 0.78 HRH4 (0.41) HRH4KDM4EGAAMAPTNPC1
SCHEMBL6307209 0.78 HSP90AB1 (0.54) HRH4KDM4EGAAMAPTNPC1
SCHEMBL23242194 0.77 HSP90AA1 (0.37) HRH4KDM4EGAAMAPTNPC1
Ethane SCHEMBL28243367 0.71 LMNA (0.47) KDM4EGAAMAPTNPC1RAB9A
Methylamine SCHEMBL7947669 0.71 LMNA (0.47) KDM4EGAAMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111087353-B Therapeutically active compounds and methods of use thereof 法国施维雅药厂 2023-10-24 CN disclosed
US-20230212143-A9 PRMT5 INHIBITOR COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-07-06 US disclosed
US-20230212143-A9 PRMT5 INHIBITOR COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-07-06 US disclosed
US-11388901-B2 Herbicidal azines BASF SE (DE) 2022-07-19 US disclosed
US-20220185792-A1 PRMT5 INHIBITOR COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-06-16 US disclosed
US-20220177947-A1 Compounds to Identify Beta-Lactamases, and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-06-09 US disclosed
US-20210112811-A1 HERBICIDAL AZINES BASF SE (DE) 2021-04-22 US disclosed
US-20210112811-A1 HERBICIDAL AZINES BASF SE (DE) 2021-04-22 US disclosed
US-20210094922-A1 Dyes for Analysis of Soluble Protein Aggregates or Misfolded Protein Oligomers PENN STATE RES FOUND (US) 2021-04-01 US disclosed
CN-110325529-A HERBICIDAL AZINES 巴斯夫欧洲公司 2019-10-11 CN disclosed
EP-3326967-A1 MODIFIED MULTIFUNCTIONAL POLYPHOSPHATE AND METHOD TO PREPARE THE MULTIFUNCTIONAL MODIFIED POLYPHOSPHATES Leibniz-Institut für Polymerforschung Dresden e.V. (DE) 2018-05-30 EP disclosed
CN-1045103-A The oligomer ester and the oligoamide that contain the dipiperidino triazine group ICI AMERICA INC (US) 1990-09-05 CN 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 (6 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-11388901-B2 Herbicidal azines DDT, AOC1, AZI2 HRH4 919/4885KDM4E 1160/4885GAA 251/4885
US-20220177947-A1 Compounds to Identify Beta-Lactamases, and Methods of Use Thereof GUSB, GLB1, MGAM HRH4 3962/4885KDM4E 2730/4885GAA 14/4885
US-20220185792-A1 PRMT5 INHIBITOR COMPOUNDS PRMT5, PRMT1, PRMT6 HRH4 942/4885KDM4E 90/4885GAA 3055/4885
US-20210112811-A1 HERBICIDAL AZINES DDT, AOC1, AZI2 HRH4 919/4885KDM4E 1160/4885GAA 251/4885
US-20210094922-A1 Dyes for Analysis of Soluble Protein Aggregates or Misfolded Protein Oligomers HSPBP1, HTT, HSPA5 HRH4 4593/4885KDM4E 4499/4885GAA 1798/4885
US-20230212143-A9 PRMT5 INHIBITOR COMPOUNDS PRMT5, PRMT1, PRMT6 HRH4 942/4885KDM4E 90/4885GAA 3055/4885

“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.