SCHEMBL2386013

SCHEMBL2386013

C[C@H]1CN(c2ccc(N)cc2)C[C@H](C)O1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.56
KMT2A Q03164 6/20 0.47
ALDH1A1 P00352 6/20 0.47
GFER P55789 4/20 0.47
KDM4E B2RXH2 3/20 0.47
GAA P10253 3/20 0.47
ADRA2C P18825 1/20 0.47
PTK2B Q14289 1/20 0.47
ESR2 Q92731 1/20 0.47
RAB9A P51151 2/20 0.46
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 2/20 0.44
HSD17B10 Q99714 2/20 0.44
NPC1 O15118 1/20 0.44
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL13144984 1.00 MAPT (0.56) MAPTKMT2AALDH1A1GFERKDM4E
SCHEMBL13370273 1.00 MAPT (0.56) MAPTKMT2AALDH1A1GFERKDM4E
SCHEMBL2090418 1.00 MAPT (0.56) MAPTKMT2AALDH1A1GFERKDM4E
SCHEMBL2385628 1.00 MAPT (0.56) MAPTKMT2AALDH1A1GFERKDM4E
Hydrochloric Acid SCHEMBL16210292 0.98 MAPT (0.54) MAPTKMT2AALDH1A1GFERKDM4E
SCHEMBL5237724 0.84 MAPT (0.56) MAPTKMT2AALDH1A1KDM4EGAA
SCHEMBL30336273 0.84 MAPT (0.45) MAPTKMT2AALDH1A1KDM4EGAA
SCHEMBL29209043 0.84 MAPT (0.45) MAPTKMT2AALDH1A1KDM4EGAA
SCHEMBL11935903 0.82 MAPT (0.51) MAPTKMT2AALDH1A1GFERKDM4E
SCHEMBL13113501 0.82 MAPT (0.51) MAPTKMT2AALDH1A1GFERKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110294749-A1 DIAMINOPYRIMIDINECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-12-01 US disclosed
EP-1518855-B1 DIAMINOPYRIMIDINECARBOXA MIDE DERIVATIVE ASTELLAS PHARMA INC (JP) 2011-10-26 EP disclosed
US-8012959-B2 Diaminopyrimidinecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2011-09-06 US disclosed
US-20090281072-A1 Diaminopyrimidinecarboxamide Derivative ASTELLAS PHARM INC. (JP) 2009-11-12 US disclosed
US-7449456-B2 Diaminopyrimidinecarboxamide derivative ASTELLAS PHARMA, INC. (JP) 2008-11-11 US disclosed
US-20050272753-A1 Diaminopyrimidinecarboxa mide derivative ASTELLAS PHARMA INC. (JP) 2005-12-08 US disclosed
EP-1518855-A1 DIAMINOPYRIMIDINECARBOXA MIDE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2005-03-30 EP disclosed
US-20040116417-A1 Thiohydantoins and use thereof for treating diabetes LABORATOIRES FOURNIER SA (FR) 2004-06-17 US disclosed
EP-1373219-A1 THIOHYDANTOINS AND USE THEREOF FOR TREATING DIABETES LABORATOIRES FOURNIER S.A. (FR) 2004-01-02 EP disclosed
WO-2002081453-A1 THIOHYDANTOINS AND USE THEREOF FOR TREATING DIABETES LABORATOIRES FOURNIER SA (FR) 2002-10-17 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 (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-20110294749-A1 DIAMINOPYRIMIDINECARBOXAMIDE DERIVATIVE STAT6, STAT4, STAT3 MAPT 4703/4885KMT2A 328/4885ALDH1A1 2657/4885
US-20050272753-A1 Diaminopyrimidinecarboxa mide derivative STAT5A, STAT6, STAT4 MAPT 4551/4885KMT2A 216/4885ALDH1A1 2316/4885
US-20090281072-A1 Diaminopyrimidinecarboxamide Derivative STAT6, STAT4, STAT3 MAPT 4703/4885KMT2A 328/4885ALDH1A1 2657/4885

“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.