SCHEMBL10171844

SCHEMBL10171844

CN(C)C(=O)c1ccc(Nc2ncnc3c2c(F)cn3C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.47
ERBB2 P04626 1/20 0.43
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.40
ABL1 P00519 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
CYP2C9 P11712 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL10172604 0.91 GPR119 (0.48) GPR119ERBB2CYP2C9CYP3A4
SCHEMBL10171891 0.91 ERBB2 (0.46) GPR119ERBB2KMT2ACYP2C9CYP3A4
SCHEMBL10171804 0.90 GPR119 (0.47) GPR119ERBB2KMT2ACYP2C9CYP3A4
SCHEMBL10172681 0.90 GPR119 (0.45) GPR119ERBB2KMT2ACYP2C9CYP3A4
SCHEMBL10172629 0.88 GPR119 (0.44) GPR119ERBB2ABL1KMT2ACYP2C9
SCHEMBL10172608 0.88 GPR119 (0.44) GPR119ERBB2KMT2ACYP2C9CYP3A4
SCHEMBL356735 0.86 GPR119 (0.43) GPR119ERBB2KMT2ACYP2C9CYP3A4
SCHEMBL10172682 0.85 ERBB2 (0.47) GPR119ERBB2KMT2ACYP2C9CYP3A4
SCHEMBL10171903 0.84 GPR119 (0.48) GPR119ERBB2KMT2ACYP2C9CYP3A4
SCHEMBL10172612 0.83 GPR119 (0.48) GPR119ERBB2KMT2ACYP2C9CYP3A4

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 GPR119 1/4885ERBB2 451/4885KDM4E 3195/4885

“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.