SCHEMBL2790752

SCHEMBL2790752

Cc1nc2cccnc2n1C1CCNCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.65
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
CCR5 P51681 2/20 0.44
PDE4B Q07343 2/20 0.43
PDE4D Q08499 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR1A P08908 1/20 0.43
HTR2C P28335 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
POLB P06746 1/20 0.43
CLK1 P49759 1/20 0.41
CDK9 P50750 1/20 0.41
DYRK1A Q13627 1/20 0.41
DYRK2 Q92630 1/20 0.41
PRKDC P78527 1/20 0.41
GAA P10253 1/20 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
SCHEMBL12893949 0.83 TP53 (0.59) TP53PDE4BPDE4DHTR3EHTR3B
SCHEMBL9539176 0.83 TP53 (0.62) TP53JAK2JAK1PDE4BPDE4D
SCHEMBL6160948 0.82 TP53 (0.58) TP53PDE4BPDE4DHTR3EHTR3B
SCHEMBL3526383 0.81 CCR5 (0.47) TP53CCR5PDE4BPDE4DPOLB
SCHEMBL13543530 0.81 CCR5 (0.47) TP53CCR5PDE4BPDE4DPOLB
SCHEMBL13319030 0.80 TP53 (0.62) TP53PDE4BPDE4DHTR3EHTR3B
SCHEMBL9688984 0.79 TP53 (0.57) TP53PDE4BPDE4DHTR3EHTR3B
SCHEMBL16136080 0.78 TP53 (0.54) TP53PDE4BPDE4DHTR2C
SCHEMBL16135780 0.78 TP53 (0.54) TP53PDE4BPDE4DHTR1AHTR2C
SCHEMBL7587030 0.78 CCR5 (0.54) TP53JAK2JAK1CCR5GAA

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
US-20100168093-A1 SUBSTITUTED 3-AMINO-4 -HYDROXY PYRROLIDINES COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIES DE DR. ESTEVE, S.A. (ES) 2010-07-01 US disclosed
EP-2029571-A1 SUBSTITUTED 3 -AMINO-4 -HYDROXY PYRROLIDINES COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-03-04 EP disclosed
WO-2007128460-A1 SUBSTITUTED 3 -AMINO-4 -HYDROXY PYRROLIDINES COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-11-15 WO disclosed
EP-1849781-A1 Substituted 3-Amino-4-hydroxy pyrrolidines compounds, their preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2007-10-31 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-20100168093-A1 SUBSTITUTED 3-AMINO-4 -HYDROXY PYRROLIDINES COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS PAH, HMBS, P4HA1 TP53 3043/4885JAK2 2747/4885JAK1 3526/4885

“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.