SCHEMBL1844594

SCHEMBL1844594

NC1[C@@H]2CC3C[C@H]1C[C@](C(=O)O)(C3)C2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.40
HSD11B2 P80365 5/20 0.40
DGAT1 O75907 5/20 0.36
THRB P10828 1/20 0.35
CYP2C9 P11712 1/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 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
SCHEMBL329023 1.00 HSD11B1 (0.40) HSD11B1HSD11B2DGAT1THRBCYP2C9
SCHEMBL974024 1.00 HSD11B1 (0.40) HSD11B1HSD11B2DGAT1THRBCYP2C9
SCHEMBL12579136 1.00 HSD11B1 (0.40) HSD11B1HSD11B2DGAT1THRBCYP2C9
SCHEMBL12693260 1.00 HSD11B1 (0.40) HSD11B1HSD11B2DGAT1THRBCYP2C9
SCHEMBL12696579 1.00 HSD11B1 (0.40) HSD11B1HSD11B2DGAT1THRBCYP2C9
SCHEMBL1844823 1.00 HSD11B1 (0.40) HSD11B1HSD11B2DGAT1THRBCYP2C9
SCHEMBL1844825 1.00 HSD11B1 (0.40) HSD11B1HSD11B2DGAT1THRBCYP2C9
SCHEMBL974023 1.00 HSD11B1 (0.40) HSD11B1HSD11B2DGAT1THRBCYP2C9
Hydrochloric Acid SCHEMBL2823637 0.98 HSD11B1 (0.39) HSD11B1HSD11B2DGAT1THRBCYP2C9
SCHEMBL3644747 0.87 HSD11B1 (0.43) HSD11B1HSD11B2DGAT1HTTALDH1A1

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 HSD11B1 2713/4885HSD11B2 2516/4885DGAT1 925/4885

“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.