SCHEMBL355091

SCHEMBL355091

CN(C)C(=O)c1ccc(Nc2ncnc3c2c(F)cn3C2CCN(C(=N)NO)CC2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.48
GPR119 Q8TDV5 4/20 0.44
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 1/20 0.40
DYRK1A Q13627 1/20 0.37
WDR5 P61964 2/20 0.37
KMT2A Q03164 2/20 0.37
CCNT1 O60563 1/20 0.37
CDK4 P11802 1/20 0.37
CCND3 P30281 1/20 0.37
CDK9 P50750 1/20 0.37
NEK7 Q8TDX7 5/20 0.37
EGFR P00533 2/20 0.36
KDR P35968 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ABL1 P00519 1/20 0.35
LCK P06239 1/20 0.35
SRC P12931 1/20 0.35
ABL2 P42684 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
SCHEMBL357837 0.87 ERBB2 (0.47) ERBB2GPR119CYP3A4CYP2C9WDR5
SCHEMBL356179 0.86 CYP3A4 (0.56) ERBB2GPR119CYP3A4CYP2C9EGFR
SCHEMBL355058 0.86 GPR119 (0.48) ERBB2GPR119CYP3A4CYP2C9
SCHEMBL357651 0.85 ERBB2 (0.47) ERBB2GPR119CYP3A4CYP2C9WDR5
Hydrochloric Acid SCHEMBL354743 0.85 ERBB2 (0.47) ERBB2GPR119CYP3A4CYP2C9WDR5
SCHEMBL10172682 0.85 ERBB2 (0.47) ERBB2GPR119CYP3A4CYP2C9WDR5
SCHEMBL10171812 0.84 ERBB2 (0.45) ERBB2GPR119CYP3A4CYP2C9CCNT1
SCHEMBL357418 0.84 ERBB2 (0.45) ERBB2GPR119CYP3A4CYP2C9WDR5
SCHEMBL10171903 0.84 GPR119 (0.48) ERBB2GPR119CYP3A4CYP2C9WDR5
SCHEMBL10172675 0.83 CYP3A4 (0.48) ERBB2GPR119CYP3A4CYP2C9NEK7

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 3 patents. 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
EP-2390254-A1 NOVEL PYRROLOÝ2,3-d¨PYRIMIDINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2011-11-30 EP disclosed
US-20110257678-A1 VASCULAR EMBOLIC FILTER EXCHANGE DEVICES AND METHODS OF USE THEREOF INCEPT LLC (US) 2011-10-20 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 ERBB2 451/4885GPR119 1/4885CYP3A4 2136/4885

“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.