SCHEMBL5760469

SCHEMBL5760469

c1cc2c(nn1)NCCS2

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
RYR2 Q92736 2/20 0.32

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
SCHEMBL5760046 0.74 MEN1 (0.36) MEN1ALDH1A1GAAKMT2A
SCHEMBL2051657 0.72 GAA (0.50) MEN1ALDH1A1GAAKMT2ARYR2
SCHEMBL910393 0.69 MEN1 (0.39) MEN1ALDH1A1GAAKMT2ARYR2
SCHEMBL4714738 0.69 MEN1 (0.39) MEN1ALDH1A1GAAKMT2ARYR2
SCHEMBL4714740 0.69 MEN1 (0.39) MEN1ALDH1A1GAAKMT2ARYR2
SCHEMBL5758812 0.68 MEN1 (0.41) MEN1ALDH1A1GAAKMT2A
SCHEMBL2800209 0.66 CCR1 (0.37) MEN1ALDH1A1GAAKMT2ARYR2
SCHEMBL12692898 0.66 MEN1 (0.36) MEN1ALDH1A1GAAKMT2ARYR2
SCHEMBL5758522 0.66 PLK4 (0.36)
SCHEMBL2042589 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7101869-B2 2,4-diaminopyrimidine compounds useful as immunosuppressants PFIZER INC. (US) 2006-09-05 US claimed
EP-1242403-B1 2,4-DIAMINOPYRIMIDINE COMPOUNDS USFUL AS IMMUNOSUPPRESSANTS PFIZER PROD INC (US) 2006-01-04 EP claimed
US-20030191307-A1 2,4-Diaminopyrimidine compounds useful as immunosuppressants BLUMENKOPF TODD A (US) 2003-10-09 US claimed
US-8440666-B2 Pyridazinone compounds and P2X7 receptor inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-14 US disclosed
US-8440666-B2 Pyridazinone compounds and P2X7 receptor inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-14 US disclosed
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES LIMITED 2010-11-11 US disclosed
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES LIMITED 2010-11-11 US disclosed
US-7101869-B2 2,4-diaminopyrimidine compounds useful as immunosuppressants PFIZER INC. (US) 2006-09-05 US disclosed
EP-1242403-B1 2,4-DIAMINOPYRIMIDINE COMPOUNDS USFUL AS IMMUNOSUPPRESSANTS PFIZER PROD INC (US) 2006-01-04 EP disclosed
US-20030191307-A1 2,4-Diaminopyrimidine compounds useful as immunosuppressants BLUMENKOPF TODD A (US) 2003-10-09 US disclosed
CN-1402720-A 2,4-diaminopyrimidine compounds useful as immunosuppressants PFIZER PROD INC (US) 2003-03-12 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 (2 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-20030191307-A1 2,4-Diaminopyrimidine compounds useful as immunosuppressants CCR1, AOC1, NOD1 MEN1 3785/4885ALDH1A1 495/4885GAA 3686/4885
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS P2RY1, P2RX7, P2RX1 MEN1 3931/4885ALDH1A1 2584/4885GAA 4019/4885

“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.