SCHEMBL10140747

SCHEMBL10140747

Fc1cn(C2CCN(c3ncccn3)CC2)c2ncnc(Cl)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.37
TP53 P04637 1/20 0.37
KDM4E B2RXH2 3/20 0.36
CYP2C19 P33261 1/20 0.36
SRC P12931 4/20 0.35
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RIPK2 O43353 5/20 0.34
ABL1 P00519 2/20 0.34
EGFR P00533 2/20 0.34
ABL2 P42684 2/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
CHI3L1 P36222 1/20 0.33
KCNH2 Q12809 1/20 0.33
CHIT1 Q13231 1/20 0.33
CHIA Q9BZP6 1/20 0.33
PDGFRB P09619 1/20 0.33

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
SCHEMBL354783 0.89 RIPK2 (0.35) SRCRIPK2ABL1EGFRABL2
SCHEMBL358364 0.89 GPR119 (0.36) SRCRIPK2ABL1EGFRABL2
SCHEMBL357038 0.87 RIPK2 (0.38) SRCRIPK2ABL1KCNH2PDGFRB
SCHEMBL356834 0.87 RIPK2 (0.32) SRCRIPK2ABL1EGFRABL2
SCHEMBL355735 0.85 GPR119 (0.40) RIPK2
SCHEMBL354786 0.84 GPR119 (0.40)
SCHEMBL356951 0.84 RIPK2 (0.32) SRCRIPK2ABL1KCNH2PDGFRB
SCHEMBL356843 0.82 GPR119 (0.32) RIPK2KCNH2KIT
SCHEMBL356620 0.82 GPR119 (0.45) KDM4EMEN1KMT2A
SCHEMBL356763 0.82 SLC6A9 (0.33)

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 MALT1 3880/4885TP53 3103/4885KDM4E 3195/4885

“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.