SCHEMBL5759505

SCHEMBL5759505

c1nncc2c1NCCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 1/20 0.44
GRM5 P41594 3/20 0.36
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
ATM Q13315 1/20 0.35
PRKCI P41743 1/20 0.34
AR P10275 1/20 0.33
FABP6 P51161 1/20 0.33
KEAP1 Q14145 1/20 0.32
ADRA2A P08913 2/20 0.30
ADRA2C P18825 2/20 0.30
ADRA1D P25100 2/20 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
SCHEMBL4148152 0.76 ALDH1A1 (0.40) ALDH1A1GAAHSD17B10MAPTGRM5
SCHEMBL1190056 0.75 ALDH1A1 (0.46) ALDH1A1GAAHSD17B10MAPTGRM5
SCHEMBL1191190 0.75 ALDH1A1 (0.50) ALDH1A1GAAHSD17B10MAPTGRM5
SCHEMBL4343278 0.75 ALDH1A1 (0.42) ALDH1A1GAAHSD17B10MAPTGRM5
SCHEMBL909876 0.74 ALDH1A1 (0.41) ALDH1A1GAAHSD17B10MAPTGRM5
Hydrochloric Acid SCHEMBL21824320 0.74 ALDH1A1 (0.49) ALDH1A1GAAHSD17B10MAPTGRM5
Bromide SCHEMBL29575413 0.74 ALDH1A1 (0.49) ALDH1A1GAAHSD17B10MAPTGRM5
SCHEMBL18237836 0.71 ALDH1A1 (0.42) ALDH1A1GAAHSD17B10MAPTGRM5
SCHEMBL18237530 0.71 ALDH1A1 (0.46) ALDH1A1GAAHSD17B10MAPTGRM5
SCHEMBL14600749 0.71 ALDH1A1 (0.46) ALDH1A1GAAHSD17B10MAPTGRM5

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
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
CN-1402720-A 2,4-diaminopyrimidine compounds useful as immunosuppressants PFIZER PROD INC (US) 2003-03-12 CN claimed
US-8889732-B2 Fused heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-11-18 US disclosed
US-8889732-B2 Fused heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-11-18 US disclosed
US-20120209005-A1 FUSED HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-08-16 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
EP-1242403-A1 2,4-DIAMINOPYRIMIDINE COMPOUNDS USFUL AS IMMUNOSUPPRESSANTS Pfizer Products Inc. (US) 2002-09-25 EP disclosed
WO-2001040215-A1 2,4-DIAMINOPYRIMIDINE COMPOUNDS USFUL AS IMMUNOSUPPRESSANTS PFIZER PRODUCTS INC. (US) 2001-06-07 WO 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-20120209005-A1 FUSED HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS MPL, TEK, THPO ALDH1A1 2398/4885GAA 2111/4885HSD17B10 4111/4885
US-20030191307-A1 2,4-Diaminopyrimidine compounds useful as immunosuppressants CCR1, AOC1, NOD1 ALDH1A1 495/4885GAA 3686/4885HSD17B10 3697/4885

“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.