SCHEMBL357651

SCHEMBL357651

CN(C)C(=O)c1ccc(Nc2ncnc3c2c(F)cn3C2CCNCC2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.47
GPR119 Q8TDV5 3/20 0.45
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
PTK2 Q05397 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK14 Q16539 1/20 0.38
CCNT1 O60563 1/20 0.38
CDK4 P11802 1/20 0.38
CCND3 P30281 1/20 0.38
CDK9 P50750 1/20 0.38
EIF2AK3 Q9NZJ5 1/20 0.37
PTK6 Q13882 3/20 0.37
BRAF P15056 1/20 0.37

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 SCHEMBL354743 0.99 ERBB2 (0.47) ERBB2GPR119ALDH1A1CYP1A2HSD17B10
SCHEMBL357837 0.87 ERBB2 (0.47) ERBB2GPR119CYP3A4CYP2C9CCNT1
SCHEMBL355091 0.85 ERBB2 (0.48) ERBB2GPR119CYP1A2USP2CYP3A4
SCHEMBL356179 0.85 CYP3A4 (0.56) ERBB2GPR119CYP3A4CYP2C9
SCHEMBL10172682 0.85 ERBB2 (0.47) ERBB2GPR119CYP3A4CYP2C9CCNT1
SCHEMBL10171903 0.84 GPR119 (0.48) ERBB2GPR119CYP3A4CYP2C9CCNT1
SCHEMBL10172615 0.83 GPR119 (0.46) ERBB2GPR119CYP3A4CYP2C9CCNT1
SCHEMBL10172612 0.83 GPR119 (0.48) ERBB2GPR119CYP3A4CYP2C9CCNT1
SCHEMBL10171891 0.83 ERBB2 (0.46) ERBB2GPR119CYP3A4CYP2C9MAPK14
SCHEMBL355058 0.83 GPR119 (0.48) ERBB2GPR119CYP3A4CYP2C9

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 1/4885ALDH1A1 1676/4885

“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.