SCHEMBL356839

SCHEMBL356839

O=C(c1ccc(Nc2ncnc3c2c(F)cn3C2CCN(c3ncc(C4CC4)cn3)CC2)c(F)c1)N1CC[C@@H](O)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.38
GPR119 Q8TDV5 5/20 0.38
PTK6 Q13882 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
LRRK2 Q5S007 2/20 0.37
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
ERBB2 P04626 1/20 0.36
WDR5 P61964 2/20 0.35
KMT2A Q03164 2/20 0.35
MKNK2 Q9HBH9 1/20 0.35
MAP2K1 Q02750 1/20 0.34
FASN P49327 1/20 0.34
TYRO3 Q06418 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
SCHEMBL356840 1.00 PDE4B (0.38) PDE4BGPR119PTK6CYP3A4CYP2C9
SCHEMBL10171976 0.96 ERBB2 (0.39) PDE4BGPR119PTK6CYP3A4CYP2C9
SCHEMBL10171830 0.94 PDE4B (0.39) PDE4BGPR119PTK6CYP3A4CYP2C9
SCHEMBL10172640 0.93 KMT2A (0.38) PDE4BGPR119PTK6CYP3A4CYP2C9
SCHEMBL10172654 0.91 CYP3A4 (0.38) PDE4BGPR119PTK6CYP3A4CYP2C9
SCHEMBL355772 0.91 GPR119 (0.44) PDE4BGPR119CYP3A4CYP2C9LRRK2
SCHEMBL355773 0.91 GPR119 (0.44) PDE4BGPR119CYP3A4CYP2C9LRRK2
SCHEMBL10171972 0.91 GPR119 (0.38) PDE4BGPR119CYP3A4CYP2C9LRRK2
SCHEMBL356718 0.91 GPR119 (0.44) PDE4BGPR119CYP3A4CYP2C9LRRK2
SCHEMBL10172173 0.90 ERBB2 (0.41) PDE4BGPR119PTK6CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-19 US claimed
US-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-19 US disclosed
US-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-19 US disclosed
EP-2390254-A1 NOVEL PYRROLOÝ2,3-d¨PYRIMIDINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2011-11-30 EP disclosed
US-20110257678-A1 VASCULAR EMBOLIC FILTER EXCHANGE DEVICES AND METHODS OF USE THEREOF INCEPT LLC (US) 2011-10-20 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-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND GPR119, GPR139, HCAR1 PDE4B 1683/4885GPR119 1/4885PTK6 2572/4885

“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.