SCHEMBL355753

SCHEMBL355753

CC(C)(C)OC(=O)N1CCC(n2cc(F)c3c(Cl)ncnc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.52
EGFR P00533 3/20 0.52
ABL1 P00519 2/20 0.48
ABL2 P42684 2/20 0.48
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 1/20 0.47
GPR119 Q8TDV5 6/20 0.45
NR3C1 P04150 3/20 0.42
HCAR1 Q9BXC0 1/20 0.42
PIK3CD O00329 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL10139717 0.89 SRC (0.53) SRCEGFRABL1ABL2CYP3A4
SCHEMBL19731361 0.88 SRC (0.52) SRCEGFRABL1ABL2CYP3A4
SCHEMBL6866966 0.88 SRC (0.52) SRCEGFRABL1ABL2CYP3A4
SCHEMBL357171 0.88 SRC (0.52) SRCEGFRABL1ABL2CYP3A4
SCHEMBL29503465 0.88 SRC (0.52) SRCEGFRABL1ABL2CYP3A4
SCHEMBL355610 0.85 GPR119 (0.42) CYP2C9GPR119
SCHEMBL357484 0.82 ALDH1A1 (0.48) SRCEGFRABL1ABL2CYP3A4
SCHEMBL19731353 0.82 SRC (0.60) SRCEGFRABL1ABL2CYP3A4
SCHEMBL28928812 0.82 SRC (0.66) SRCEGFRABL1ABL2MEN1
SCHEMBL15345425 0.82 SRC (0.59) SRCEGFRABL1ABL2CYP3A4

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 6 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
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
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 SRC 1364/4885EGFR 648/4885ABL1 2097/4885

“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.