SCHEMBL356433

SCHEMBL356433

COC(=O)c1cnc(N2CCC(n3cc(F)c4c(Nc5ccc(C(=O)N(C)C)cc5F)ncnc43)CC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 6/20 0.45
▸ ERBB2 P04626 1/20 0.44
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ BRAF P15056 4/20 0.37
▸ SCN9A Q15858 1/20 0.35
▸ GPR6 P46095 1/20 0.35
▸ JAK2 O60674 2/20 0.35
▸ CDK4 P11802 2/20 0.35
▸ CCND3 P30281 2/20 0.35
▸ WDR5 P61964 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CDK6 Q00534 1/20 0.35
▸ JAK3 P52333 1/20 0.34
▸ PLK1 P53350 1/20 0.34

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
SCHEMBL354422 0.92 GPR119 (0.46) GPR119ERBB2CYP3A4CYP2C9BRAF
SCHEMBL10172682 0.92 ERBB2 (0.47) GPR119ERBB2CYP3A4CYP2C9BRAF
SCHEMBL10171903 0.92 GPR119 (0.48) GPR119ERBB2CYP3A4CYP2C9BRAF
SCHEMBL356278 0.91 GPR119 (0.46) GPR119ERBB2CYP3A4CYP2C9SCN9A
SCHEMBL10172615 0.91 GPR119 (0.46) GPR119ERBB2CYP3A4CYP2C9BRAF
SCHEMBL10172612 0.91 GPR119 (0.48) GPR119ERBB2CYP3A4CYP2C9BRAF
SCHEMBL10171956 0.90 GPR119 (0.44) GPR119ERBB2CYP3A4CYP2C9BRAF
SCHEMBL10172604 0.89 GPR119 (0.48) GPR119ERBB2CYP3A4CYP2C9BRAF
SCHEMBL10172676 0.89 GPR119 (0.45) GPR119ERBB2CYP3A4CYP2C9BRAF
SCHEMBL10172580 0.89 GPR119 (0.44) GPR119ERBB2CYP3A4CYP2C9BRAF

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 4 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
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 GPR119 1/4885ERBB2 451/4885CYP3A4 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.

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