SCHEMBL2320524

SCHEMBL2320524

O=C(Nc1ccccc1)Oc1csnn1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.48
GAA P10253 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.43
MGLL Q99685 1/20 0.43
HSP90AA1 P07900 1/20 0.43
KDM4E B2RXH2 1/20 0.42
BLM P54132 1/20 0.42
RAD51 Q06609 1/20 0.42
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
THRB P10828 2/20 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
SCHEMBL11204841 0.76 SMN1; SMN2 (0.47) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL4751172 0.76 MGLL (0.61) ALDH1A1KMT2AMEN1NPC1GAA
SCHEMBL2859096 0.73 LMNA (0.73) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL3242462 0.73 ALDH1A1 (0.38) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL6629780 0.72 NPC1 (0.56) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL28771220 0.72 KMT2A (0.50) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL5847232 0.71 SMN1; SMN2 (0.57) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL5616625 0.71 KMT2A (0.51) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL11796988 0.71 ALDH1A1 (0.56) ALDH1A1MAPTKMT2AMEN1GAA
Phenyl Phenylcarbamate SCHEMBL272994 0.70 ALDH1A1 (0.76) ALDH1A1MAPTKMT2AMEN1GAA

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
EP-2531508-A1 PYRROLO [ 2, 3 - D]PYRIMIDINE UREA COMPOUNDS AS JAK INHIBITORS Pfizer Inc. (US) 2012-12-12 EP disclosed
CN-102822177-A Pyrrolo [ 2, 3 - d] pyrimidine urea compounds as jak inhibitors PFIZER 2012-12-12 CN disclosed
US-20120309776-A1 PYRROLO[2,3-D]PYRIMIDINE UREA COMPOUNDS AS JAK INHIBITORS PFITZER INC. 2012-12-06 US disclosed
WO-2011097087-A1 PYRROLO [ 2, 3 - D] PYRIMIDINE UREA COMPOUNDS AS JAK INHIBITORS PFIZER INC. (US) 2011-08-11 WO 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-20120309776-A1 PYRROLO[2,3-D]PYRIMIDINE UREA COMPOUNDS AS JAK INHIBITORS JAK3, JAK1, JAK2 ALDH1A1 3377/4885MAPT 1982/4885KMT2A 1296/4885

“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.