SCHEMBL10171837

SCHEMBL10171837

CC(C)c1nc(N2CCC(n3cc(F)c4c(Nc5ccc(C(=O)N(C)C)cc5Cl)ncnc43)CC2)no1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.43
ERBB2 P04626 1/20 0.36
WDR5 P61964 2/20 0.35
KMT2A Q03164 2/20 0.35
BRAF P15056 2/20 0.35
NEK7 Q8TDX7 7/20 0.35
AAK1 Q2M2I8 1/20 0.34
TTK P33981 2/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
MAPT P10636 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
SCHEMBL10171797 0.94 GPR119 (0.49) GPR119ERBB2BRAFNEK7
SCHEMBL10171821 0.88 GPR119 (0.43) GPR119ERBB2WDR5KMT2ANEK7
Hydrochloric Acid SCHEMBL354316 0.86 GPR119 (0.41) GPR119ERBB2NEK7
SCHEMBL355656 0.86 GPR119 (0.42) GPR119ERBB2BRAFNEK7
SCHEMBL10172631 0.85 GPR119 (0.41) GPR119ERBB2BRAFNEK7
SCHEMBL356676 0.83 GPR119 (0.42) GPR119ERBB2WDR5KMT2ATTK
SCHEMBL10171852 0.82 GPR119 (0.53) GPR119ERBB2BRAFNEK7
SCHEMBL10171921 0.82 GPR119 (0.49) GPR119ERBB2BRAFNEK7
SCHEMBL10171935 0.82 GPR119 (0.38) GPR119ERBB2NEK7
SCHEMBL10172614 0.82 GPR119 (0.42) GPR119ERBB2WDR5KMT2ANEK7

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 451/4885WDR5 2041/4885

“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.