SCHEMBL2322209

SCHEMBL2322209

Cc1noc(NC(=O)Oc2ccccc2)c1C#N

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.67
LMNA P02545 4/20 0.59
CYP1A2 P05177 2/20 0.57
HIF1A Q16665 1/20 0.57
HTT P42858 2/20 0.54
EPHX2 P34913 1/20 0.49
IDO1 P14902 1/20 0.46
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
EDNRA P25101 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
THRB P10828 1/20 0.40
GFER P55789 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 2/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL1011568 0.82 IDO1 (0.54) ALDH1A1LMNACYP1A2HTTEPHX2
SCHEMBL2322207 0.77 ALDH1A1 (0.53) ALDH1A1LMNACYP1A2HIF1AHTT
SCHEMBL20064247 0.74 ALDH1A1 (0.43) ALDH1A1LMNACYP1A2HTTIDO1
SCHEMBL15890232 0.74 BRD4 (0.53) ALDH1A1LMNACYP1A2HTTIDO1
SCHEMBL24096902 0.74 IDO1 (0.48) ALDH1A1LMNACYP1A2HTTIDO1
SCHEMBL29739306 0.73 ALDH1A1 (0.54) ALDH1A1LMNACYP1A2HTTMAPT
SCHEMBL27785458 0.72 EDNRA (0.50) ALDH1A1IDO1EDNRA
SCHEMBL19563752 0.71 IDO1 (0.60) ALDH1A1LMNACYP1A2HTTIDO1
SCHEMBL1011299 0.71 ALDH1A1 (0.44) ALDH1A1LMNACYP1A2HTTIDO1
SCHEMBL897183 0.70 RAB9A (0.61) ALDH1A1LMNACYP1A2SMN1; SMN2MEN1

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
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
EP-0044185-A2 Imidazolidinone derivatives ELI LILLY AND COMPANY (US) 1982-01-20 EP 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 3377/4885LMNA 4753/4885CYP1A2 3045/4885

“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.