SCHEMBL10171876

SCHEMBL10171876

CCCc1cnc(N2CCC(n3cc(F)c4c(Nc5ccc(C(=O)O)cc5F)ncnc43)CC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.55
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
ERBB2 P04626 1/20 0.35
NEK7 Q8TDX7 3/20 0.34
BRAF P15056 1/20 0.34
BRD4 O60885 1/20 0.34
DGAT2 Q96PD7 1/20 0.33

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
Hydrochloric Acid SCHEMBL356347 0.99 GPR119 (0.54) GPR119MEN1KMT2ACYP3A4CYP2C9
Hydrochloric Acid SCHEMBL356663 0.94 GPR119 (0.49) GPR119MEN1KMT2ACYP3A4CYP2C9
SCHEMBL357826 0.94 GPR119 (0.47) GPR119CYP3A4CYP2C9ERBB2NEK7
SCHEMBL10172636 0.93 GPR119 (0.54) GPR119MEN1KMT2ACYP3A4CYP2C9
Hydrochloric Acid SCHEMBL356544 0.93 GPR119 (0.47) GPR119CYP3A4CYP2C9ERBB2NEK7
SCHEMBL10171818 0.93 GPR119 (0.53) GPR119MEN1KMT2ACYP3A4CYP2C9
SCHEMBL10171884 0.90 GPR119 (0.51) GPR119MEN1KMT2ACYP3A4CYP2C9
SCHEMBL10172704 0.90 GPR119 (0.51) GPR119MEN1KMT2ACYP3A4CYP2C9
SCHEMBL355815 0.89 GPR119 (0.51) GPR119MEN1KMT2ACYP3A4CYP2C9
SCHEMBL10172642 0.89 GPR119 (0.51) GPR119MEN1KMT2ACYP3A4CYP2C9

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 1/4885MEN1 4883/4885KMT2A 2953/4885

“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.