SCHEMBL10171849

SCHEMBL10171849

O=C(c1ccc(Nc2ncnc3c2c(F)cn3C2CCN(c3noc(C(F)(F)F)n3)CC2)c(F)c1)N1C[C@@H](O)[C@H](O)C1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.40
HDAC4 P56524 3/20 0.39
NEK7 Q8TDX7 9/20 0.37
BRAF P15056 2/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
PTK6 Q13882 1/20 0.34
ERBB2 P04626 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL356206 0.94 HDAC4 (0.47) GPR119HDAC4NEK7BRAFCYP3A4
SCHEMBL356205 0.94 HDAC4 (0.47) GPR119HDAC4NEK7BRAFCYP3A4
SCHEMBL10172171 0.94 HDAC4 (0.47) GPR119HDAC4NEK7BRAFCYP3A4
SCHEMBL10171900 0.93 HDAC4 (0.42) GPR119HDAC4NEK7BRAFPTK6
SCHEMBL10172175 0.93 HDAC4 (0.43) GPR119HDAC4NEK7BRAFCYP3A4
SCHEMBL10172671 0.90 GPR119 (0.43) GPR119NEK7BRAFCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL355012 0.89 GPR119 (0.43) GPR119NEK7BRAFCYP3A4CYP2C9
SCHEMBL10171910 0.89 GPR119 (0.38) GPR119NEK7CYP3A4CYP2C9PTK6
SCHEMBL10171852 0.88 GPR119 (0.53) GPR119HDAC4NEK7BRAFCYP3A4
SCHEMBL10172652 0.87 GPR119 (0.37) GPR119NEK7BRAFCYP3A4CYP2C9

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 1/4885HDAC4 2551/4885NEK7 3219/4885

“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.