SCHEMBL9899355

SCHEMBL9899355

COCC1(C(=O)O)CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.50
CHRM3 P20309 1/20 0.50
BLM P54132 1/20 0.50
HPGD P15428 1/20 0.49
CYP2D6 P10635 2/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
USP2 O75604 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP1A2 P05177 1/20 0.48
ACHE P22303 1/20 0.48
CYP2C9 P11712 2/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
CRBN Q96SW2 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
RIPK1 Q13546 1/20 0.46
TP53 P04637 1/20 0.46
PTGER4 P35408 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
SCHEMBL9898356 0.85 MEN1 (0.56) BLMALDH1A1MAPK1
SCHEMBL9928310 0.84 BLM (0.51) CHRM2CHRM3BLMHPGDCYP2D6
SCHEMBL9928307 0.82 BLM (0.52) CHRM2CHRM3BLMHPGDCYP2D6
SCHEMBL2702729 0.79 CHRM2 (0.59) CHRM2CHRM3BLMHPGDCYP2D6
SCHEMBL8801451 0.79 CYP2D6 (0.56) CYP2D6TSHRALDH1A1SMN1; SMN2USP2
SCHEMBL8801014 0.79 CYP2D6 (0.60) HPGDCYP2D6TSHRALDH1A1SMN1; SMN2
SCHEMBL28978286 0.79 ALDH1A1 (0.49) CHRM2CHRM3BLMHPGDCYP2D6
SCHEMBL9228370 0.79 CHRM2 (0.46) CHRM2CHRM3BLMHPGDCYP2D6
SCHEMBL9233702 0.78 CHRM2 (0.45) CHRM2CHRM3BLMHPGDCYP2D6
SCHEMBL28978297 0.76 CHRM2 (0.49) CHRM2CHRM3BLMCYP2D6TSHR

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
WO-2021078120-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2021-04-29 WO disclosed
EP-2511276-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE Ube Industries, Ltd. (JP) 2012-10-17 EP disclosed
US-20120149902-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2012-06-14 US disclosed
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 CHRM2 1979/4885CHRM3 2827/4885BLM 4374/4885

“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.