SCHEMBL1844754

SCHEMBL1844754

CC(=O)Oc1ccc(Cl)c(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 2/20 0.38
ELANE P08246 1/20 0.37
ABCB11 O95342 1/20 0.37
LMNA P02545 3/20 0.36
ACHE P22303 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
CA12 O43570 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
CA9 Q16790 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTR1D P28221 1/20 0.34

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
SCHEMBL12578338 0.82 KDM4E (0.40) KDM4EALDH1A1LMNANPC1PKM
SCHEMBL1845873 0.82 EGFR (0.40)
SCHEMBL6675964 0.81 HTR2A (0.40) CYP3A4ACHEMAOA
SCHEMBL6674892 0.76 MEN1 (0.44) KDM4EALDH1A1LMNAPOLB
SCHEMBL6678438 0.74 GRM2 (0.35)
SCHEMBL6419451 0.74 ALDH1A1 (0.43) ALDH1A1NPC1RAB9APOLB
SCHEMBL19794855 0.74 STK17B (0.38) LMNATDP1
SCHEMBL507755 0.74 PYCR1 (0.45) KDM4EALDH1A1LMNATDP1
SCHEMBL12578615 0.74 SLC6A2 (0.35) CYP3A4ALDH1A1LMNA
SCHEMBL6678436 0.74 ALDH1A1 (0.40) ALDH1A1LMNANPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110159019-A1 2,4-DIAMINOPYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-30 US disclosed
US-20110159019-A1 2,4-DIAMINOPYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-30 US disclosed
US-20110159019-A1 2,4-DIAMINOPYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-30 US disclosed
EP-2325175-A1 2,4-DIAMINOPYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2011-05-25 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-20110159019-A1 2,4-DIAMINOPYRIMIDINE COMPOUND PRKCZ, DCLK1, AAK1 CYP3A4 2474/4885KDM4E 1012/4885ALDH1A1 1716/4885

“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.