SCHEMBL1401613

SCHEMBL1401613

CCCCCNc1ccnc(NCCCCC)n1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DNM2 P50570 8/20 0.78
▸ TLR8 Q9NR97 1/20 0.61
▸ MERTK Q12866 1/20 0.57
▸ MAPK8 P45983 1/20 0.53
▸ HRH4 Q9H3N8 4/20 0.51
▸ HRH3 Q9Y5N1 3/20 0.47
▸ KCNH3 Q9ULD8 1/20 0.47
▸ STK17A Q9UEE5 1/20 0.47
▸ NUDT1 P36639 1/20 0.45

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
SCHEMBL19477219 0.95 DNM2 (0.71) DNM2TLR8MERTKMAPK8HRH4
SCHEMBL11280972 0.91 DNM2 (0.71) DNM2TLR8MERTKMAPK8HRH4
SCHEMBL11289519 0.91 DNM2 (0.71) DNM2TLR8MERTKMAPK8HRH4
SCHEMBL19477222 0.87 TLR8 (0.63) DNM2TLR8MERTKMAPK8HRH4
SCHEMBL19476564 0.87 TLR8 (0.63) DNM2TLR8MERTKMAPK8HRH4
SCHEMBL19462384 0.85 DNM2 (0.59) DNM2TLR8MERTKMAPK8HRH4
SCHEMBL2574691 0.85 DNM2 (0.59) DNM2TLR8MERTKMAPK8HRH4
SCHEMBL2947094 0.85 DNM2 (0.90) DNM2TLR8MERTKMAPK8HRH4
SCHEMBL19477221 0.85 DNM2 (0.80) DNM2TLR8MERTKMAPK8HRH4
SCHEMBL19476566 0.85 DNM2 (0.80) DNM2TLR8MERTKMAPK8HRH4

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805301-B 2, 4-diaryl aminopyrimidine compound and preparation method and application thereof 沈阳药科大学 2024-04-05 — — CN claimed
CN-116003331-A 2, 4-diarylaminopyrimidine derivative and application thereof 浙江工业大学 2023-04-25 — — CN claimed
CN-110218205-B 2, 4-diarylaminopyrimidine derivatives containing pyridine structure and application thereof 辽宁大学 2022-04-05 — — CN claimed
CN-111484484-B 2, 4-diaryl aminopyrimidine derivative containing aromatic heterocycle and preparation and application thereof 沈阳药科大学 2021-11-23 — — CN claimed
CN-111484484-A 2, 4-diaryl aminopyrimidine derivative containing aromatic heterocycle and preparation and application thereof 沈阳药科大学 2020-08-04 — — CN claimed
CN-114805301-B 2, 4-diaryl aminopyrimidine compound and preparation method and application thereof 沈阳药科大学 2024-04-05 — — CN disclosed
CN-114805301-B 2, 4-diaryl aminopyrimidine compound and preparation method and application thereof 沈阳药科大学 2024-04-05 — — CN disclosed
CN-116003331-A 2, 4-diarylaminopyrimidine derivative and application thereof 浙江工业大学 2023-04-25 — — CN disclosed
CN-116003331-A 2, 4-diarylaminopyrimidine derivative and application thereof 浙江工业大学 2023-04-25 — — CN disclosed
CN-114805301-A 2, 4-diarylaminopyrimidine compounds and preparation method and application thereof 沈阳药科大学 2022-07-29 — — CN disclosed
CN-114805301-A 2, 4-diarylaminopyrimidine compounds and preparation method and application thereof 沈阳药科大学 2022-07-29 — — CN disclosed
CN-114805301-A 2, 4-diarylaminopyrimidine compounds and preparation method and application thereof 沈阳药科大学 2022-07-29 — — CN disclosed
EP-0945443-B1 HIV inhibiting pyrimidine derivatives JANSSEN PHARMACEUTICA NV (BE) 2003-02-12 — — EP disclosed
EP-1245567-A1 HIV inhibiting pyrimidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2002-10-02 — — EP disclosed
US-6440986-B2 VIRICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 2002-08-27 — — US disclosed
US-20010011094-A1 HIV inhibiting pyrimidine derivatives ANDRIES KOENRAAD JOZEF LODEWIJ (BE) 2001-08-02 — — US disclosed
US-6197779-B1 VIRICIDE JANSSEN PHARMACEUTICA, INC. 2001-03-06 — — US disclosed
WO-1999050250-A1 HIV INHIBITING PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1999-10-07 — — WO disclosed
EP-0945443-A1 HIV inhibiting pyrimidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1999-09-29 — — EP disclosed
EP-0945442-A1 Trisubstituted pyrimidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1999-09-29 — — EP 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 (1 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-20010011094-A1 HIV inhibiting pyrimidine derivatives CBR1, CCR1, NR4A1 DNM2 2499/4885TLR8 2119/4885MERTK 2563/4885

“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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