SCHEMBL10172145

SCHEMBL10172145

CCc1cnc(N2CCC(n3cc(Cl)c4c(Nc5ccc(C(=O)N(C)C)cc5F)ncnc43)CC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.45
ERBB2 P04626 2/20 0.42
WDR5 P61964 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
SCN9A Q15858 1/20 0.36
CCNT1 O60563 1/20 0.35
CDK4 P11802 1/20 0.35
CCND3 P30281 1/20 0.35
CDK9 P50750 1/20 0.35
EGFR P00533 1/20 0.35
MAPT P10636 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
SCHEMBL356278 0.93 GPR119 (0.46) GPR119ERBB2WDR5KMT2ACYP3A4
SCHEMBL10172165 0.92 GPR119 (0.42) GPR119ERBB2CYP3A4CYP2C9CCNT1
Hydrochloric Acid SCHEMBL356983 0.92 GPR119 (0.45) GPR119ERBB2CYP3A4CYP2C9
SCHEMBL10171978 0.92 GPR119 (0.42) GPR119ERBB2CYP3A4CYP2C9CCNT1
SCHEMBL356676 0.91 GPR119 (0.42) GPR119ERBB2WDR5KMT2ASCN9A
SCHEMBL10171818 0.88 GPR119 (0.53) GPR119ERBB2WDR5KMT2ACYP3A4
SCHEMBL10171822 0.88 GPR119 (0.42) GPR119ERBB2WDR5KMT2ACYP3A4
SCHEMBL10172690 0.88 GPR119 (0.42) GPR119ERBB2WDR5KMT2ACYP3A4
SCHEMBL10172615 0.87 GPR119 (0.46) GPR119ERBB2WDR5KMT2ACYP3A4
SCHEMBL354997 0.86 GPR119 (0.43) GPR119ERBB2CYP3A4CYP2C9CCNT1

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.