SCHEMBL9928307

SCHEMBL9928307

CCC1(COC)CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.52
CYP2C9 P11712 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPK1 P28482 3/20 0.49
HIF1A Q16665 2/20 0.49
CHRM2 P08172 1/20 0.49
CHRM3 P20309 1/20 0.49
HPGD P15428 1/20 0.47
CYP2D6 P10635 3/20 0.47
TSHR P16473 2/20 0.47
ALDH1A1 P00352 4/20 0.47
USP2 O75604 4/20 0.47
CYP3A4 P08684 3/20 0.47
CYP1A2 P05177 1/20 0.47
ACHE P22303 1/20 0.47
CRBN Q96SW2 1/20 0.46
CYP2C19 P33261 2/20 0.46
TP53 P04637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL18070856 0.88 BLM (0.61) BLMCHRM2CHRM3HPGDALDH1A1
SCHEMBL9928310 0.83 BLM (0.51) BLMCYP2C9SMN1; SMN2MAPK1HIF1A
SCHEMBL9899355 0.82 CHRM2 (0.50) BLMCYP2C9SMN1; SMN2MAPK1HIF1A
SCHEMBL9898356 0.79 MEN1 (0.56) BLMMAPK1ALDH1A1MEN1KMT2A
SCHEMBL14427028 0.78 BLM (0.59) BLMCHRM2CHRM3HPGDALDH1A1
SCHEMBL9928306 0.78 BLM (0.59) BLMCHRM2CHRM3HPGDALDH1A1
SCHEMBL9228370 0.77 CHRM2 (0.46) BLMCYP2C9SMN1; SMN2MAPK1HIF1A
SCHEMBL9233702 0.76 CHRM2 (0.45) BLMCYP2C9SMN1; SMN2MAPK1HIF1A
SCHEMBL13471656 0.75 ACHE (0.47) BLMCYP2C9SMN1; SMN2MAPK1HIF1A
SCHEMBL9928309 0.74 HPGD (0.61) BLMMAPK1CHRM2CHRM3HPGD

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-20120149902-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2012-06-14 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-20120149902-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE ERBB2, EGFR, FGFR1 BLM 4374/4885CYP2C9 1769/4885SMN1; SMN2 3503/4885

“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.