SCHEMBL10171981

SCHEMBL10171981

CC(C)Oc1cnc(N2CCC(n3cc(F)c4c(Nc5ccc(C(=O)N6CC[C@@H](O)C6)cc5F)ncnc43)CC2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 3/20 0.40
LRRK2 Q5S007 2/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
GPR119 Q8TDV5 3/20 0.37
CBLB Q13191 1/20 0.36
PDE4B Q07343 1/20 0.36
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
ERBB2 P04626 2/20 0.35
TYRO3 Q06418 1/20 0.35
WDR5 P61964 1/20 0.35
KMT2A Q03164 1/20 0.35
EGFR P00533 1/20 0.35
PIM1 P11309 1/20 0.35
BRAF P15056 1/20 0.35
PIM3 Q86V86 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
ACACB O00763 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
SCHEMBL10171972 0.91 GPR119 (0.38) MKNK2LRRK2CYP3A4CYP2C9GPR119
SCHEMBL10171830 0.90 PDE4B (0.39) MKNK2LRRK2CYP3A4CYP2C9GPR119
SCHEMBL10172661 0.90 GPR119 (0.40) MKNK2CYP3A4CYP2C9GPR119ERBB2
SCHEMBL10172644 0.89 GPR119 (0.36) MKNK2LRRK2CYP3A4CYP2C9GPR119
SCHEMBL356839 0.89 PDE4B (0.38) MKNK2LRRK2CYP3A4CYP2C9GPR119
SCHEMBL356840 0.89 PDE4B (0.38) MKNK2LRRK2CYP3A4CYP2C9GPR119
SCHEMBL10172640 0.89 KMT2A (0.38) MKNK2LRRK2CYP3A4CYP2C9GPR119
Hydrochloric Acid SCHEMBL355996 0.89 GPR119 (0.39) MKNK2CYP3A4CYP2C9GPR119ERBB2
SCHEMBL355773 0.88 GPR119 (0.44) MKNK2LRRK2CYP3A4CYP2C9GPR119
SCHEMBL356718 0.88 GPR119 (0.44) MKNK2LRRK2CYP3A4CYP2C9GPR119

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 1 patent. 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 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 MKNK2 4685/4885LRRK2 2211/4885CYP3A4 2136/4885

“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.