SCHEMBL517585

SCHEMBL517585

COc1cc(N2CCC(NC(=O)O)CC2)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 2/20 0.46
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
ADRA2A P08913 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
DRD4 P21917 1/20 0.43
ACHE P22303 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43
DRD3 P35462 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
CHRNA4 P43681 1/20 0.43
HTR3A P46098 1/20 0.43

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
SCHEMBL23243692 0.86 GAK (0.47) DRD2DRD4ADRA1ADRD3IP6K1
SCHEMBL23243695 0.86 GAK (0.47) DRD2DRD4ADRA1ADRD3IP6K1
SCHEMBL29435443 0.85 SUV39H2 (0.53) SUV39H2
SCHEMBL517615 0.85 SUV39H2 (0.53) SUV39H2
SCHEMBL3311124 0.85 MAPT (0.57) LGMNPDE3AMAPTSMN1; SMN2
SCHEMBL7209201 0.83 LGMN (0.51) LGMNMAPTIP6K1
SCHEMBL13380460 0.83 SUV39H2 (0.44) LGMNCYP3A4MAPTSUV39H2DPP4
SCHEMBL517279 0.81 ALDH1A1 (0.64) CYP1A2CYP2C9MAPTGFERSMN1; SMN2
SCHEMBL517280 0.81 ALDH1A1 (0.64) CYP1A2CYP2C9MAPTGFERSMN1; SMN2
SCHEMBL12856205 0.81 LGMN (0.51) LGMNCYP3A4ADRA2CHTR2BHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11253516-B2 N2,N4-diphenylpyrimidine-2,4-diamine derivative, method for preparing same, and pharmaceutical composition containing same as active ingredient for prevention or treatment of cancer KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2022-02-22 US disclosed
US-20200179384-A1 N2,N4-DIPHENYLPYRIMIDINE-2,4-DIAMINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2020-06-11 US disclosed
CN-110357889-A Protein degradation target compound, its antitumor application thereof, wherein mesosome and intermediate application 上海科技大学 2019-10-22 CN disclosed
EP-2601186-A2 4-(1H-INDOL-3-YL)-PYRIMIDINES AS ALK INHIBITORS AstraZeneca AB (SE) 2013-06-12 EP disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 US disclosed
WO-2012017239-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 WO disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 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 (3 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-20120028924-A1 CHEMICAL COMPOUNDS ALK, BRAF, ABL1 LGMN 3473/4885CYP3A4 600/4885CYP1A2 440/4885
US-20200179384-A1 N2,N4-DIPHENYLPYRIMIDINE-2,4-DIAMINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER FLT3, EGFR, ERBB2 LGMN 2248/4885CYP3A4 1326/4885CYP1A2 1986/4885
US-11253516-B2 N2,N4-diphenylpyrimidine-2,4-diamine derivative, method for preparing same, and pharmaceutical composition containing same as active ingredient for prevention or treatment of cancer FLT3, EGFR, ERBB2 LGMN 2248/4885CYP3A4 1326/4885CYP1A2 1986/4885

“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.