SCHEMBL10171818

SCHEMBL10171818

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.53
ERBB2 P04626 1/20 0.43
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CCNT1 O60563 1/20 0.36
CDK4 P11802 1/20 0.36
CCND3 P30281 1/20 0.36
CDK9 P50750 1/20 0.36
SCN9A Q15858 1/20 0.35
WDR5 P61964 2/20 0.34
BRAF P15056 3/20 0.34
NEK7 Q8TDX7 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
SCHEMBL10172647 0.95 GPR119 (0.48) GPR119ERBB2KMT2AMEN1CYP3A4
SCHEMBL356278 0.94 GPR119 (0.46) GPR119ERBB2KMT2ACYP3A4CYP2C9
SCHEMBL10171876 0.93 GPR119 (0.55) GPR119ERBB2KMT2AMEN1CYP3A4
SCHEMBL10171879 0.92 GPR119 (0.51) GPR119ERBB2KMT2AMEN1CYP3A4
SCHEMBL10172636 0.92 GPR119 (0.54) GPR119ERBB2KMT2AMEN1CYP3A4
Hydrochloric Acid SCHEMBL356347 0.92 GPR119 (0.54) GPR119ERBB2KMT2AMEN1CYP3A4
SCHEMBL10172691 0.91 GPR119 (0.49) GPR119ERBB2KMT2AMEN1CYP3A4
SCHEMBL10172682 0.91 ERBB2 (0.47) GPR119ERBB2KMT2ACYP3A4CYP2C9
SCHEMBL10171903 0.90 GPR119 (0.48) GPR119ERBB2KMT2ACYP3A4CYP2C9
SCHEMBL10171956 0.90 GPR119 (0.44) GPR119ERBB2KMT2ACYP3A4CYP2C9

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 451/4885KMT2A 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.