SCHEMBL2020522

SCHEMBL2020522

CCC(CC)(c1nc(Cl)cc(N2CCCC2)n1)P(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 2/20 0.36
MAPT P10636 2/20 0.36
CYP2D6 P10635 1/20 0.36
LMNA P02545 1/20 0.34
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GBA1 P04062 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HRH4 Q9H3N8 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 2/20 0.31
APAF1 O14727 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL2022500 0.82 MMP1 (0.32)
SCHEMBL2021524 0.76 PDE10A (0.46) RAF1BRAFHRH4NUDT1
SCHEMBL2176143 0.73 LMNA (0.34) KMT2ACYP1A2MAPTCYP2D6LMNA
SCHEMBL2019862 0.68 MAPK1 (0.36)
SCHEMBL21157766 0.67 CRHBP (0.42) KMT2ACYP1A2MAPTCYP2D6L3MBTL1
SCHEMBL3406103 0.66 KMT2A (0.54) KMT2ACYP1A2MAPTCYP2D6L3MBTL1
SCHEMBL16094875 0.66 CYP1A2 (0.57) KMT2ACYP1A2MAPTCYP2D6RAF1
SCHEMBL2021947 0.65 CYP1A2 (0.44) KMT2ACYP1A2MAPTCYP2D6RAF1
SCHEMBL3413188 0.65 KMT2A (0.53) KMT2ACYP1A2MAPTCYP2D6L3MBTL1
SCHEMBL2772556 0.64 CASP1 (0.61) KMT2ACYP1A2MAPTCYP2D6GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350027-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2011-08-03 EP disclosed
US-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-06-30 US 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-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS PDE10A, PDE12, PDE9A KMT2A 1750/4885CYP1A2 885/4885MAPT 3672/4885

“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.