SCHEMBL10171900

SCHEMBL10171900

O=C(c1ccc(Nc2ncnc3c2c(F)cn3C2CCN(c3noc(C(F)(F)F)n3)CC2)c(F)c1)N1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 5/20 0.42
HDAC6 Q9UBN7 2/20 0.42
GPR119 Q8TDV5 3/20 0.41
NEK7 Q8TDX7 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
PTK6 Q13882 2/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
ERBB2 P04626 1/20 0.36
BRAF P15056 4/20 0.36
LRRK2 Q5S007 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL10172175 0.94 HDAC4 (0.43) HDAC4HDAC6GPR119NEK7PTK6
SCHEMBL10171849 0.93 GPR119 (0.40) HDAC4HDAC6GPR119NEK7PTK6
SCHEMBL356206 0.92 HDAC4 (0.47) HDAC4GPR119NEK7PTK6BRAF
SCHEMBL10172171 0.92 HDAC4 (0.47) HDAC4GPR119NEK7PTK6BRAF
SCHEMBL356205 0.92 HDAC4 (0.47) HDAC4GPR119NEK7PTK6BRAF
SCHEMBL10172671 0.91 GPR119 (0.43) GPR119NEK7BRAF
Hydrochloric Acid SCHEMBL355012 0.91 GPR119 (0.43) GPR119NEK7BRAF
SCHEMBL10171852 0.89 GPR119 (0.53) HDAC4GPR119NEK7ERBB2BRAF
SCHEMBL356723 0.88 GPR119 (0.45) HDAC4HDAC6GPR119NEK7HDAC8
SCHEMBL10172703 0.86 GPR119 (0.46) HDAC4GPR119NEK7ERBB2BRAF

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 HDAC4 2551/4885HDAC6 2235/4885GPR119 1/4885

“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.