SCHEMBL2322207

SCHEMBL2322207

Cc1noc(OC(=O)Nc2ccccc2)c1C#N

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
LMNA P02545 3/20 0.47
CYP1A2 P05177 2/20 0.46
HIF1A Q16665 1/20 0.46
TSHR P16473 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
GAA P10253 3/20 0.43
HTT P42858 2/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 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
SCHEMBL2322209 0.77 ALDH1A1 (0.67) ALDH1A1LMNACYP1A2HIF1ASMN1; SMN2
SCHEMBL29739306 0.68 ALDH1A1 (0.54) ALDH1A1LMNACYP1A2SMN1; SMN2GAA
4-Cyanophenyl Phenylcarbamate SCHEMBL10393666 0.66 ALDH1A1 (0.64) ALDH1A1LMNACYP1A2SMN1; SMN2GAA
SCHEMBL8822110 0.66 ALDH1A1 (0.51) ALDH1A1HSD17B10SMN1; SMN2GAAHTT
SCHEMBL27794530 0.65 ALDH1A1 (0.54) ALDH1A1LMNASMN1; SMN2GAAHTT
SCHEMBL6630173 0.64 KDM4E (0.64) ALDH1A1SMN1; SMN2GAAHTTRAB9A
SCHEMBL20064247 0.64 ALDH1A1 (0.43) ALDH1A1LMNACYP1A2HSD17B10SMN1; SMN2
SCHEMBL11796988 0.64 ALDH1A1 (0.56) ALDH1A1TSHRSMN1; SMN2GAAHTT
SCHEMBL8048675 0.64 NOTUM (0.59) ALDH1A1SMN1; SMN2GAAHTTRAB9A
SCHEMBL4676605 0.64 ALDH1A1 (0.49) ALDH1A1LMNACYP1A2HIF1AHSD17B10

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 3 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

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.